dibromoacetic acid profile

Dibromoacetic acid is a colorless to pale yellow liquid with a pungent odor. It is a strong acid and is corrosive to skin and eyes. It is soluble in water, ethanol, and ether. Dibromoacetic acid is used as a reagent in organic synthesis and as a catalyst in some industrial processes. It is also used in the production of pharmaceuticals and pesticides. Dibromoacetic acid is a potent inhibitor of the enzyme carbonic anhydrase. It is also known to have antibacterial and antifungal properties. Dibromoacetic acid is a halogenated carboxylic acid. It is a potent inhibitor of carbonic anhydrase, an enzyme that plays a role in the regulation of pH and carbon dioxide levels in the body. Dibromoacetic acid is a strong acid and is corrosive to skin and eyes. It is a volatile compound and should be handled with caution.'

dibromoacetic acid : A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	12433
CHEMBL ID	449362
CHEBI ID	90124
SCHEMBL ID	137199
MeSH ID	M0234634

Synonym
hsdb 7622
acetic acid, 2,2-dibromo-
7fuw62yy5l ,
unii-7fuw62yy5l
dibromoacetic acid
acetic acid, dibromo-
inchi=1/c2h2br2o2/c3-1(4)2(5)6/h1h,(h,5,6
631-64-1
NCGC00090913-01
einecs 211-165-5
ccris 7636
dibromoacetate
dibromoacetic acid, analytical standard
dibromoacetic acid, 97%
2,2-dibromoacetic acid
MLS001065597
smr000568475
chebi:90124 ,
CHEMBL449362
AKOS000119767
NCGC00090913-02
LMFA01090076
dbaa
2,2-dibromoethanoic acid
C20123
cas-631-64-1
dtxcid203815
tox21_303291
dtxsid1023815 ,
NCGC00257152-01
tox21_202297
NCGC00259846-01
10024-50-7
FT-0632681
SCHEMBL137199
dibromoacetic acid [hsdb]
dibromoacetic acid [iarc]
dibromoethanoic acid
dibromoacetic acid 1000 microg/ml in methyl-tert-butyl ether
dibromoaceticacid
Q18533477
s29 - haloacetic acids

Excerpt	Reference	Relevance
"Dibromoacetic acid (DBA) is a by-product of disinfection in drinking water, which could cause many adverse effects in test animals. "	( Dibromoacetic acid exposure is associated with abnormal melatonin rhythm in rats via inhibition of p-CREB1-AANAT signalling pathway. Cao, F; Gu, W; Guo, R; Han, T; Jiang, W; Jiang, X; Li, Y; Liu, X; Sun, C; Wang, Y; Wu, H; Xu, X; Yan, X, 2021)	3.51
"Dibromoacetic acid (DBA) is a haloacetic acid that is present in drinking water as a by-product of chlorinated disinfection. "	( Subacute oral exposure to dibromoacetic acid induced immunotoxicity and apoptosis in the spleen and thymus of the mice. Dong, Y; Gao, S; Li, B; Wang, Y; Zhang, P, 2008)	2.09
"Dibromoacetic acid (DBA) is a disinfection by-product commonly found in drinking water as a result of chlorination/ ozonation processes. "	( Immunotoxicity of dibromoacetic acid administered via drinking water to female B₆C₃F₁ mice. Auttachoat, W; Germolec, DR; Guo, TL; Luebke, RW; Sheth, CM; Smith, MJ; White, KL, )	1.91
"Dibromoacetic acid (DBA) is a drinking water disinfection by-product. "	( Effect of dibromoacetic acid on DNA methylation, glycogen accumulation, and peroxisome proliferation in mouse and rat liver. Kramer, PM; Li, L; Pereira, MA; Tao, L; Wang, W, 2004)	2.17
"Dibromoacetic acid (DBA) is a water disinfection byproduct formed by the reaction of chlorine oxidizing compounds with natural organic matter in water containing bromide. "	( Toxicity and carcinogenicity of the water disinfection byproduct, dibromoacetic acid, in rats and mice. Foster, PM; Kissling, GE; Melnick, RL; Nyska, A; Roycroft, JH, 2007)	2.02
"Dibromoacetic acid is a water disinfection by-product. "	( Toxicology and carcinogenesis studies of dibromoacetic acid (Cas No. 631-64-1) in F344/N rats and B6C3F1 mice (drinking water studies). , 2007)	2.05
"Dibromoacetic acid (DBA) is a by-product of drinking water disinfection that alters spermatogenesis in adult male rats. "	( Dibromoacetic acid, a prevalent by-product of drinking water disinfection, compromises the synthesis of specific seminiferous tubule proteins following both in vivo and in vitro exposures. Holmes, M; Klinefelter, GR; Mole, ML; Murr, AS; Roberts, NL; Suarez, JD, )	3.02

Excerpt	Reference	Relevance
"An evaluation of potential adverse human health effects of disinfection byproducts requires study of both cancer and noncancer endpoints; however, no studies have evaluated the neurotoxic potential of a common haloacetic acid, dibromoacetic acid (DBA)."	( Neurotoxicity produced by dibromoacetic acid in drinking water of rats. Butt, MT; Jortner, BS; Levine, AB; McDaniel, KL; Moser, VC; Phillips, PM; Sills, RC, 2004)	0.81
" We have previously shown that the haloacetic acids (HAs), dichloro (DCA), dibromo (DBA) and bromochloro (BCA) acetic acid are developmentally toxic in mouse whole embryo culture."	( Developmental toxicity of mixtures: the water disinfection by-products dichloro-, dibromo- and bromochloro acetic acid in rat embryo culture. Andrews, JE; Hunter, ES; Klinefelter, GR; Mole, LM; Nichols, HP; Schmid, JE, 2004)	0.32
" Toxic effects of DBA in the prechronic studies were detected in the liver (hepatocellular cytoplasmic vacuolization in rats and mice) and testes (delayed spermiation and atypical residual bodies in male rats and mice, and atrophy of the germinal epithelium in rats)."	( Toxicity and carcinogenicity of the water disinfection byproduct, dibromoacetic acid, in rats and mice. Foster, PM; Kissling, GE; Melnick, RL; Nyska, A; Roycroft, JH, 2007)	0.58
" To evaluate its potential adverse health effects, the immunotoxicological effects of DBA on the thymus and spleen of BALB/c mice were investigated."	( Subacute oral exposure to dibromoacetic acid induced immunotoxicity and apoptosis in the spleen and thymus of the mice. Dong, Y; Gao, S; Li, B; Wang, Y; Zhang, P, 2008)	0.65
" The role of gastrointestinal degradation in the toxic effects of DBPs still needs further investigation."	( Gastrointestinal Degradation and Toxicity of Disinfection Byproducts in Drinking Water Using Hu, B; Li, D; Wang, P; Yin, J; Zheng, T, 2023)	0.91

Excerpt	Reference	Relevance
" Exposure to HAAs is influenced by consumption patterns and diet of individuals thus their bioavailability is an important parameter to the overall toxicity."	( In vitro bioacessibility and transport across Caco-2 monolayers of haloacetic acids in drinking water. Faria, MA; Ferreira, IMPLVO; Mansilha, C; Melo, A; Pinto, E, 2016)	0.43

Excerpt	Relevance	Reference
" In rats dosed with DBAA, serum testosterone fell to 17% of control 2 days after a single dose of 1250 mg/kg but returned to control levels by Day 14."	( Acute spermatogenic effects of bromoacetic acids. Dyer, CJ; Klinefelter, GR; Linder, RE; Strader, LF; Suarez, JD, 1994)	0.29
" In rats dosed with 270 mg/kg/day, there were marked effects on epididymal sperm motility and morphology including the flagellar fusion of 2 or more sperm."	( Spermatotoxicity of dibromoacetic acid in rats after 14 daily exposures. Dyer, CJ; Klinefelter, GR; Linder, RE; Roberts, NL; Strader, LF; Suarez, JD, )	0.45
" DBAA compromised male fertility during the second treatment week in naturally bred rats dosed with 250 mg/kg."	( Dibromoacetic acid affects reproductive competence and sperm quality in the male rat. Klinefelter, GR; Linder, RE; Narotsky, MG; Perreault, SD; Roberts, NL; Strader, LF; Suarez, JD, 1995)	1.73
" On treatment day 2 abnormal retention of Step 19 spermatids was observed in animals given the highest dosage of 250 mg/kg."	( Histopathologic changes in the testes of rats exposed to dibromoacetic acid. Klinefelter, GR; Linder, RE; Roberts, NL; Strader, LF; Suarez, JD; Veeramachaneni, DN, )	0.38
" Delayed spermiation and formation of atypical residual bodies also were observed on days 2, 5, 9, and 14 in rats dosed daily with 1440, 480, 160, and 54 mg/kg."	( Spermatotoxicity of dichloroacetic acid. Klinefelter, GR; Linder, RE; Roberts, NL; Strader, LF; Suarez, JD, )	0.13
" Regularly cycling animals were dosed with DBA (0 to 270 mg/kg/day) for 14 days and estrous cyclicity was monitored during treatment and for an additional 2-week posttreatment interval."	( Influence of the drinking water disinfection by-product dibromoacetic acid on rat estrous cyclicity and ovarian follicular steroid release in vitro. Balchak, SK; Goldman, JM; Hedge, JM; Mole, ML; Murr, AS, )	0.38
" Four groups of 6- or 8-week old male SD rats were given DBAA at a daily dosage of 0, 5, 50 or 250 mg/kg."	( Collaborative work to evaluate toxicity on male reproductive organs by repeated dose studies in rats 25). Effects of 2- and 4- week repeated-dosing of dibromoacetic acid. Murakami, T; Mutai, M; Ooyama, N; Sano, F; Sugimoto, J; Tsuchiya, T, 2000)	0.51
" The present experiments focused on establishing a dose-response for such an effect and identifying the point(s)of impact of this compound along the steroidogenic pathway that underlie this suppression."	( Alterations in ovarian follicular progesterone secretion by elevated exposures to the drinking water disinfection by-product dibromoacetic acid: examination of the potential site(s) of impact along the steroidogenic pathway. Goldman, JM; Murr, AS, 2002)	0.52
" Testing with a functional observational battery and motor activity took place before dosing and at 1, 2, 4, and 6 months."	( Neurotoxicity produced by dibromoacetic acid in drinking water of rats. Butt, MT; Jortner, BS; Levine, AB; McDaniel, KL; Moser, VC; Phillips, PM; Sills, RC, 2004)	0.62
" The remaining pups (15-17 of each gender/dose group) continued to be dosed similarly through adulthood."	( Sub-chronic exposure to dibromoacetic acid, a water disinfection by-product, does not affect gametogenic potential in mice. Legare, ME; Sawyer, HR; Veeramachaneni, DN; Weber, NM, 2006)	0.64
" Sprague-Dawley rats were gavaged for 14 days with DBA (0-150mg/kg) and ovariectomized on dosing day 11, and at the same time implanted with an estradiol capsule to generate daily LH surges."	( Moderating influence of the drinking water disinfection by-product dibromoacetic acid on a dithiocarbamate-induced suppression of the luteinizing hormone surge in female rats. Buckalew, AR; Cooper, RL; Ferrell, JM; Goldman, JM; Murr, AS, 2007)	0.58
" Testes were collected from male Sprague-Dawley rats dosed orally for 1 and 4 days with DBAA at 250 mg/kg/day."	( Role of cytochrome P450c17α in dibromoacetic acid-induced testicular toxicity in rats. Blomme, EA; Carr, TL; Ciurlionis, R; Liguori, MJ; Milicic, I; Strakhova, MI; Warder, SE; Whitney, K, 2011)	0.66

Role	Description
marine metabolite	Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
apoptosis inducer	Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
geroprotector	Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
monocarboxylic acid	An oxoacid containing a single carboxy group.
2-bromocarboxylic acid	Any carboxylic acid in which the carbon bearing the carboxy group is substituted by a bromine.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	11.2202	0.0032	45.4673	12,589.2998	AID2517
Chain A, ATP-DEPENDENT DNA HELICASE Q1	Homo sapiens (human)	Potency	35.4813	0.1259	19.1169	125.8920	AID2549
interleukin 8	Homo sapiens (human)	Potency	74.9780	0.0473	49.4806	74.9780	AID651758
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	26.4577	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
GLI family zinc finger 3	Homo sapiens (human)	Potency	6.8590	0.0007	14.5928	83.7951	AID1259369
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	44.6684	0.0112	12.4002	100.0000	AID1030
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	0.6181	0.0010	22.6508	76.6163	AID1224893
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	16.9036	0.0002	14.3764	60.0339	AID588532; AID588533
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	61.1306	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	28.1838	0.0237	23.2282	63.5986	AID588543
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	39.8107	0.0100	39.5371	1,122.0200	AID1479
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	5.0289	0.0006	27.2152	1,122.0200	AID651741; AID720636; AID743202; AID743219
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID384212	Mutagenic activity in Salmonella Typhimurium TA100 assessed as logarithm of his+ revertant number increasing activity by amens test	2008	Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10	Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (1.79)	18.7374
1990's	7 (12.50)	18.2507
2000's	26 (46.43)	29.6817
2010's	19 (33.93)	24.3611
2020's	3 (5.36)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (1.43%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	69 (98.57%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
chloroacetaldehyde [no description available]	2.04	1	organochlorine compound
ethylene chlorohydrin Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group.	2.04	1	chloroethanol	xenobiotic metabolite
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	2.21	1	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	1.95	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
chloroacetic acid chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.	4.91	13	chlorocarboxylic acid; haloacetic acid	alkylating agent; herbicide
melatonin [no description available]	7.31	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
hydroxide ion [no description available]	2.03	1	oxygen hydride	mouse metabolite
thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.	1.95	1	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	1.99	1	quaternary ammonium ion
methoxychlor Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.	2	1	organochlorine insecticide
mitotane Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.	2	1	diarylmethane
iodoacetic acid Iodoacetic Acid: A derivative of ACETIC ACID that contains one IODINE atom attached to its methyl group.. iodoacetic acid : A haloacetic acid that is acetic acid in which one of the hydrogens of the methyl group is replaced by an iodine atom.	2.04	1	haloacetic acid; organoiodine compound	alkylating agent
bromoform bromoform: structure	4.76	3	bromohydrocarbon; bromomethanes
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	2.03	1	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.	2.11	1	nitrosamine	geroprotector; mutagen
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	2.02	1	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	4.46	2	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
bromoacetate [no description available]	4.65	10	carboxylic acid; organohalogen compound
bromoacetate [no description available]	2.04	1
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	1.95	1	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
2-bromopropane 2-bromopropane: used as a substitute for freon	2.04	1
bromodichloromethane bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.	2.17	1	halomethane	environmental contaminant; reagent
tribromoacetic acid [no description available]	4.06	5
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	6.54	14	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
2,3-dichloro-1-propene 2,3-dichloro-1-propene: soil fumigant	2.04	1
2,2-dichloroacetyl chloride dichloroacetyl chloride : The acyl chloride obtained by displacement of the hydroxy group of dichloroacetic acid by chloride.	2.04	1	acyl chloride	hapten
dichloroacetic acid [no description available]	6.65	16	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.	2.79	3	brominated flame retardant; bromobisphenol
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
1,3-dichloro-2-propanol 1,3-dichloro-2-propanol: RN given refers to cpd with specified locants. 1,3-dichloropropan-2-ol : A secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point -4degreeC, boiling point 174degreeC at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose.	2.04	1	organochlorine compound; secondary alcohol	cross-linking reagent; protic solvent
ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.	2.04	1	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
allyl chloride [no description available]	2.04	1	organochlorine compound
methyl cellosolve methyl cellosolve: widely used industrial solvent for resins, lacquers, dyes & inks; may cause anemia macrocytosis, appearance of young granulocytes in blood; RN given refers to parent cpd	2.08	1	glycol ether	protic solvent; solvent
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	2.06	1	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
pregnenolone [no description available]	2.01	1	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
difluoroacetic acid [no description available]	2	1	monocarboxylic acid; organofluorine compound
ethylene bromohydrin ethylene bromohydrin: RN given refers to 2-bromo cpd	2.04	1
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	2.15	1	dialdehyde	biomarker
trichloroacetonitrile [no description available]	2.15	1	aliphatic nitrile; organochlorine compound
bromoacetone bromoacetone : An alpha-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon.	1.95	1	alpha-bromoketone	lachrymator
2-bromopropionic acid, (dl)-isomer 2-bromopropionic acid: RN given refers to cpd without isomeric designation	2	1
2-chloropropionic acid 2-chloropropionic acid: RN given refers to parent cpd with specified chlorine locant; structure	2	1
3-Bromo-1-propanol [no description available]	2.04	1	primary alcohol
tetradecyltrimethylammonium tetradecyltrimethylammonium: cationic surfactant; used to determine thermal stability of DNA; Catrimox-14 is the tradename of the oxalate; Catrimox-14 lyses cells and simultaneously precipitates RNA and was demonstrated useful in isolating RNA from whole blood	1.99	1
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	2.03	1	alkali metal hydroxide
dichloroacetonitrile dichloroacetonitrile: by-product of water chlorination; structure given in first source	2.15	1	aliphatic nitrile
dibromoacetonitrile dibromoacetonitrile: by-product of water chlorination; structure given in first source	2.15	1	aliphatic nitrile
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.	2.04	1	diatomic bromine
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.42	2	diatomic chlorine; gas molecular entity	bleaching agent
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	4.01	1	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
2-bromoacrolein [no description available]	2.04	1
geosmin geosmin: earthy smelling cpd from sediment in Lake Biwa; structure. (-)-geosmin : The (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration.	2.06	1	geosmin
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	7.84	54	benzenes; phenyl acetates
chlorodibromomethane [no description available]	2.53	2	organochlorine compound
bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3.	2.02	1	bromine oxoanion; monovalent inorganic anion
chlorofluoroacetic acid chlorofluoroacetic acid: structure in first source	2	1
22-hydroxycholesterol [no description available]	2.01	1	cholanoid
bromodichloroacetic acid [no description available]	3.16	5
glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.	7.02	1
sodium perchlorate sodium perchlorate : An inorganic sodium salt comprising equal numbers of sodium and perchlorate ions.	2.02	1	inorganic sodium salt
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	3.9	12	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
1,4-dichloro-2-butene 1,4-dichloro-2-butene: RN given refers to parent cpd without isomeric designation; structure	2.04	1	organochlorine compound
mitobronitol Mitobronitol: Brominated analog of MANNITOL which is an antineoplastic agent appearing to act as an alkylating agent.	2.04	1	alcohol; organobromine compound
dimethyldithiocarbamate Dimethyldithiocarbamate: A chemical that acts as a dopamine beta-hydroxylase inhibitor. Its salts are agricultural fungicides. It is inferior to diethyldithiocarbamate as a chelating agent.. dimethyldithiocarbamate : A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3.	2.03	1	dithiocarbamate anions
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	1.95	1	chalcogen; nonmetal atom	macronutrient
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.15	1
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	1.95	1	glycoside
2-methylisoborneol 2-methylisoborneol: structure. 2-methylisoborneol : An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).	2.06	1

Condition	Relationship Strength	Studies
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.45	2
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.52	8
Brain Inflammation [description not available]	2.15	1
Encephalitis Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition.	2.15	1
Craniofacial Abnormalities Congenital structural deformities, malformations, or other abnormalities of the cranium and facial bones.	2.17	1
Abnormalities, Multiple Congenital abnormalities that affect more than one organ or body structure.	2.47	2
Harelip [description not available]	2.17	1
Cleft Palate, Isolated [description not available]	2.17	1
Eye Abnormalities Congenital absence of or defects in structures of the eye; may also be hereditary.	2.17	1
Delayed Effects, Prenatal Exposure [description not available]	2.48	2
Cleft Lip Congenital defect in the upper lip where the maxillary prominence fails to merge with the merged medial nasal prominences. It is thought to be caused by faulty migration of the mesoderm in the head region.	2.17	1
Cleft Palate Congenital fissure of the soft and/or hard palate, due to faulty fusion.	2.17	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	3.29	6
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	2.1	1
Encephalopathy, Toxic [description not available]	2.46	2
Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.	2.04	1
Testicular Diseases Pathological processes of the TESTIS.	2.06	1
Alopecia Cicatrisata [description not available]	2.02	1
Nerve Degeneration Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways.	2.02	1
Alopecia Absence of hair from areas where it is normally present.	2.02	1
Weight Gain Increase in BODY WEIGHT over existing weight.	2.02	1
Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.	2.71	3
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.03	1
Cancer of Liver [description not available]	2.44	2
Cancer of Lung [description not available]	2.44	2
Experimental Neoplasms [description not available]	2.03	1
Cancer of Testis [description not available]	2.03	1
Liver Neoplasms Tumors or cancer of the LIVER.	2.44	2
Lung Neoplasms Tumors or cancer of the LUNG.	2.44	2
Testicular Neoplasms Tumors or cancer of the TESTIS. Germ cell tumors (GERMINOMA) of the testis constitute 95% of all testicular neoplasms.	2.03	1
Acute Liver Injury, Drug-Induced [description not available]	2.03	1
Chromosome-Defective Micronuclei [description not available]	2.03	1
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	2.03	1
Mesothelioma A tumor derived from mesothelial tissue (peritoneum, pleura, pericardium). It appears as broad sheets of cells, with some regions containing spindle-shaped, sarcoma-like cells and other regions showing adenomatous patterns. Pleural mesotheliomas have been linked to exposure to asbestos. (Dorland, 27th ed)	2.03	1
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	2.03	1

dibromoacetic acid

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Overview

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Protein Targets (12)

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Research Demand Index: 29.57

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