1,2,3-trichloropropane profile

1,2,3-Trichloropropane (TCP) is a colorless, oily liquid with a pungent odor. It is an organic compound with the chemical formula CH₂ClCHClCH₂Cl.

**Importance in Research:**

**1. Environmental Studies:**

* **Soil and Groundwater Contamination:** TCP is a known groundwater contaminant. Its presence in soil and water bodies can pose environmental and health risks. Research on TCP focuses on understanding its fate and transport in the environment, its degradation mechanisms, and potential remediation strategies.
* **Biodegradation Studies:** Microbial degradation of TCP is a critical aspect of environmental remediation. Researchers investigate the microbial communities involved in TCP breakdown and their metabolic pathways.

**2. Toxicology and Health Effects:**

* **Carcinogen:** TCP has been classified as a possible human carcinogen by the International Agency for Research on Cancer (IARC). Research is ongoing to determine the mechanisms of its carcinogenic effects and potential health risks associated with exposure.
* **Neurotoxicity:** TCP has been shown to exhibit neurotoxic effects, including damage to the nervous system. Studies aim to elucidate the neurotoxic mechanisms and develop strategies to mitigate these effects.

**3. Chemical Synthesis and Reactions:**

* **Intermediate in Organic Synthesis:** TCP is an important intermediate in the synthesis of various organic compounds, including pharmaceuticals and pesticides. Research focuses on developing efficient and environmentally friendly synthetic routes for TCP production.
* **Chlorination Reactions:** TCP can be used as a reactant in chlorination reactions, which are important in chemical industry. Research explores the reactivity of TCP in different chlorination processes.

**4. Analytical Chemistry:**

* **Detection and Quantification:** Analytical methods are crucial for monitoring TCP levels in environmental samples and biological matrices. Researchers develop sensitive and accurate analytical techniques for TCP detection and quantification.

**5. Materials Science:**

* **Polymer Synthesis:** TCP has been used as a monomer in the synthesis of polymers with specific properties, such as flame retardancy and high thermal stability. Research explores the potential of TCP in polymer science.

**Overall, 1,2,3-trichloropropane is an important subject of research due to its environmental significance, potential health risks, and applications in various fields. Research efforts are focused on understanding its properties, behavior, and potential impacts, as well as developing technologies for its safe handling, remediation, and utilization.**

ID Source	ID
PubMed CID	7285
CHEMBL ID	346933
CHEBI ID	34036
SCHEMBL ID	19623
MeSH ID	M0054329

Synonym
BIDD:ER0690
propane, 1,2,3-trichloro-
glyceryl trichlorohydrin
propane,2,3-trichloro-
96-18-4
1,3-trichloropropane
nsc35403
allyl trichloride
glycerol trichlorohydrin
trichlorohydrin
wln: g1yg1g
nsc-35403
ai3-26040
nci-c60220
nsc 35403
ccris 5874
trichloropropane, 1,2,3-
einecs 202-486-1
brn 1732068
glycerin trichlorohydrin
hsdb 1340
NCGC00090694-01
1,2,3-trichloropropane
1,2,3-trichloropropane, analytical standard
1,2,3-trichloropropane, 99%
NCGC00090694-02
1,2,3-trichloro-propane
CHEMBL346933
chebi:34036 ,
S0655
T0395
STK802057
AKOS005622729
NCGC00090694-03
unii-3mj7qck0z0
3mj7qck0z0 ,
ec 202-486-1
dtxcid401390
cas-96-18-4
NCGC00256369-01
tox21_302963
dtxsid9021390 ,
tox21_202023
NCGC00259572-01
BBL010950
FT-0606227
1,2,3-trichloropropane [iarc]
1,2,3-trichloropropane [hsdb]
morpholino(4-pyridyl)methanone
SCHEMBL19623
1,2,3trichloropropane
203578-27-2
mfcd00000946
1,2,3-trichloropropane, tracecert(r)
1,2,3-trichloropropane 100 microg/ml in methanol
epa method 552.3 is solution 1,2,3-trichloropropane, 1000 microg/ml in methanol
1,2,3-trichloropropane 10 microg/ml in methanol
VS-02765
Q161301
AMY22833
1,2,3-trichloropropane (d5)
D97722
111 - vocs (fumigants) in groundwater
55 - vocs (fumigants) in groundwater

Excerpt	Reference	Relevance
" A physiological pharmacokinetic model was developed to describe the time course of trichloropropane concentration in tissues."	( Disposition of 1,2,3-trichloropropane in the Fischer 344 rat: conventional and physiological pharmacokinetics. Carter, DE; Falcoz, C; Gross, JF; Sipes, IG; Volp, RF, 1984)	0.62

Excerpt	Relevance	Reference
" Male mice eliminated TCP-derived radioactivity more rapidly than rats and lower concentrations of radioactivity were found in tissues 60 hr after dosing in mice."	( Comparative disposition and metabolism of 1,2,3-trichloropropane in rats and mice. Burka, LT; Mahmood, NA; Overstreet, D, )	0.4
" Calculated were a reference dose (=39 microg/kg d) for non-cancer and Cancer Values (CV) (=10-14 microg/kg d) based on non-linear dose-response relationships for mutagenicity as a precursor of cancer."	( Derivation of a reference dose and drinking water equivalent level for 1,2,3-trichloropropane. Carson, ML; Tardiff, RG, 2010)	0.59
" Since publication of EPA's 2005 Guidelines for Carcinogen Risk Assessment, IRIS cancer assessments have implemented new approaches recommended in these guidelines and expanded the use of complex scientific methods to perform quantitative dose-response assessments."	( Approaches to cancer assessment in EPA's Integrated Risk Information System. Gehlhaus, MW; Gift, JS; Hogan, KA; Kadry, AR; Kopylev, L; Schlosser, PM, 2011)	0.37
" This context is explored based on MOA analyses in published assessments to illustrate the relative extent of supporting data and their implications for dose-response analysis and involved comparisons for chemical assessments on trichloropropane, and carbon tetrachloride with several hypothesized MOA(s) for cancer."	( Mode of action human relevance (species concordance) framework: Evolution of the Bradford Hill considerations and comparative analysis of weight of evidence. Bachman, AN; Jeffrey Lewis, R; Meek, ME; North, CM; Palermo, CM, 2014)	0.4

Class	Description
organochlorine compound	An organochlorine compound is a compound containing at least one carbon-chlorine bond.
[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)
GLI family zinc finger 3	Homo sapiens (human)	Potency	14.1413	0.0007	14.5928	83.7951	AID1259369
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	27.5283	0.0006	57.9133	22,387.1992	AID1259377
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	41.7937	0.0002	29.3054	16,493.5996	AID743069; AID743075; AID743079
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	7.8271	0.0010	24.5048	61.6448	AID743215
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID37563	Aneuploidy activity was determined; - indicates negative induction of aneuploidy in Aspergillus nidulans	1995	Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4	Molecular similarity matrices and quantitative structure-activity relationships: a case study with methodological implications.
AID433903	Hepatotoxicity in mouse assessed as carcinogenic potency	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Development of QSAR models for predicting hepatocarcinogenic toxicity of chemicals.
AID19825	Partition coefficient (logP)	1995	Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4	Molecular similarity matrices and quantitative structure-activity relationships: a case study with methodological implications.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	4 (6.35)	18.7374
1990's	11 (17.46)	18.2507
2000's	13 (20.63)	29.6817
2010's	30 (47.62)	24.3611
2020's	5 (7.94)	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	5 (7.69%)	6.00%
Case Studies	4 (6.15%)	4.05%
Observational	0 (0.00%)	0.25%
Other	56 (86.15%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
ethylene dichloride ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.	2.74	3	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	1.98	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	2.15	1	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	7.02	1	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
chlordecone [no description available]	2.05	1	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.05	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.	2.13	1	chlorocyclohexane
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.52	2	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.08	1	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
phenytoin [no description available]	2.05	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.	1.97	1	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.	2.05	1	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	2.06	1	secondary alcohol; secondary fatty alcohol	protic solvent
4-dichlorobenzene dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.	2.05	1	dichlorobenzene	insecticide
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	2.38	2	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.05	1
sulfisoxazole Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.	2.05	1	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
triamterene Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.. triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.	2.13	1	pteridines	diuretic; sodium channel blocker
bromoform bromoform: structure	1.98	1	bromohydrocarbon; bromomethanes
trifluralin Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.	2.05	1	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	3.52	2	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	2.05	1	tetrachlorophenol	xenobiotic metabolite
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.	2.41	2	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
hexachloroethane [no description available]	2.41	2	chlorocarbon; chloroethanes	carcinogenic agent; refrigerant
1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1.	2.43	2	chloroethanes	polar solvent
perthane perthane: structure	2.05	1
ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms.	2.15	1	alkane; gas molecular entity	plant metabolite; refrigerant
bromoethane bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses.	1.98	1	bromoalkane; bromohydrocarbon; volatile organic compound	alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent
bromochloromethane bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom.	1.98	1	halomethane
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	7.85	60	alkane; gas molecular entity	food propellant
ethyl chloride Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead.	2.05	1	chloroethanes	antipruritic drug; inhalation anaesthetic; local anaesthetic
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.41	2	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
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.	2.41	2	halomethane	environmental contaminant; reagent
1,1-dichloroethane [no description available]	1.98	1	organochlorine compound
vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.	1.98	1	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.	7.02	1	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride.	1.98	1
trichlorofluoromethane trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.	1.98	1	chlorofluorocarbon; halomethane	environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant
pentachloroethane [no description available]	2.41	2	chloroethanes	non-polar solvent
propylene dichloride propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines.	2.93	4	chloroalkane; volatile organic compound
2,3-dichloro-1-propene 2,3-dichloro-1-propene: soil fumigant	1.98	1
1,1,2-trichloroethane 1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2.	2.73	3	chloroethanes
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	2.97	4	chloroethenes	inhalation anaesthetic; mouse metabolite
1,1,2,2-tetrachloroethane 1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.	2.73	3	chloroethanes
1-amino-2,4-dibromoanthraquinone 1-amino-2,4-dibromoanthraquinone: intermediate in the production of dyes	2.48	2	anthraquinone
michler's ketone [no description available]	2.05	1	benzophenones
cdec CDEC: structure	2.05	1	thiocarbonyl compound
2,4-diaminotoluene 2,4-diaminotoluene: RN given refers to unlabeled parent cpd; structure. 2,4-diaminotoluene : An aminotoluene that is para-toluidine with an additional amino group at position 2.	2.05	1	aminotoluene	metabolite
4-chloro-1,2-diaminobenzene 4-chloro-1,2-diaminobenzene: RN given refers to parent cpd	2.05	1	monochlorobenzenes
1,2-dibromo-3-chloropropane 1,2-dibromo-3-chloropropane: RN given refers to cpd with specified locants for bromine & chlorine moieties	2	1	organochlorine compound
5-nitro-2-toluidine 5-nitro-2-toluidine: structure given in first source; RN given refers to parent cpd. 5-nitro-o-toluidine : A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine.	2.05	1	C-nitro compound
5-nitro-2-methoxyaniline 5-nitro-2-methoxyaniline: RN given refers to parent cpd	2.05	1	4-nitroanisoles; substituted aniline
di-(4-aminophenyl)ether di-(4-aminophenyl)ether: structure	2.05	1	aromatic ether
1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3.	2.05	1	butadiene	carcinogenic agent; mutagen
1-bromo-2-chloroethane 1-bromo-2-chloroethane : A haloalkane that is bromoethane substituted by chlorine at position 2.	1.98	1	haloalkane; organobromine compound; organochlorine compound	mutagen
allyl chloride [no description available]	7.6	1	organochlorine compound
allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.	2.05	1	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
1,3-dibromopropane 1,3-dibromopropane: see also record for dibromopropane	2.1	1
butyl bromide [no description available]	1.98	1
butyl chloride butyl chloride: structure	1.98	1
tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.	2.05	1	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
tetrafluoroethylene tetrafluoroethylene: RN given refers to parent cpd; structure	2.05	1	fluorocarbon
2-aminoanthraquinone [no description available]	2.05	1	anthraquinone
trinitrotoluene Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6.	2.15	1	trinitrotoluene	explosive
cresidine cresidine: structure	2.05	1	methoxybenzenes
2,4-dichlorophenol 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.	2.05	1	dichlorophenol
amiben Amiben: RN given refers to parent cpd	2.05	1	chlorobenzoic acid
2,4,5-trimethylaniline 2,4,5-trimethylaniline: RN given refers to parent cpd	2.05	1	substituted aniline
4,4'-thiodianiline 4,4'-thiodianiline: structure	2.05	1	substituted aniline
1,3-dichloropropane 1,3-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.	2.39	2	chloroalkane; chlorohydrocarbon	environmental contaminant; nematicide
chlorobenzilate chlorobenzilate: structure	2.05	1	diarylmethane
1-chloro-2-methylpropene [no description available]	1.98	1	organochlorine compound
1,3-dichloroacetone 1,3-dichloroacetone : A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis.	1.98	1	ketone; organochlorine compound
1-chlorohexane [no description available]	1.98	1
3-chloro-2-methylprop-1-ene [no description available]	1.98	1	organochlorine compound
2,2-dichloropropane 2,2-dichloropropane: a water pollutant	1.98	1
5-nitroacenaphthene [no description available]	2.05	1	nitronaphthalene
2,3-dichloro-1-propanol [no description available]	2.07	1
1,1,1,2-tetrachloroethane 1,1,1,2-tetrachloroethane: see also record for tetrachloroethane	2.41	2	chloroethanes
2,3,7,8-tetrachlorodibenzodioxine Tetrachlorodibenzodioxin: A mixture of isomers.	2.05	1	polychlorinated dibenzodioxine
nitrofen nitrofen: structure	2.05	1	organic molecular entity	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine .	1.97	1	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
1,5-naphthalenediamine 1,5-diaminonaphthalene: structure in first source. naphthalene-1,5-diamine : A naphthalenediamine compound having amino substituents in the 1- and 5-positions.	2.05	1	naphthalenediamine	carcinogenic agent
n-methylamino-2-nitro-4-n',n'-bis(2-hydroxyethyl)aminobenzene N-methylamino-2-nitro-4-N',N'-bis(2-hydroxyethyl)aminobenzene: structure	2.05	1	C-nitro compound
2,2-bis(bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source	7.43	2	primary alcohol
1-chlorohexadecane [no description available]	2.1	1
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	1.97	1	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
carboxin Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.	2.13	1	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.05	1	diatomic chlorine; gas molecular entity	bleaching agent
1,2-diphenylhydrazine [no description available]	2.05	1
1,4-dioxane 1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4.	2.45	2	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
chlorodibromomethane [no description available]	1.98	1	organochlorine compound
chloroprene Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene.	2.05	1	chloroolefin
1-chloro-2-propanol 1-chloro-2-propanol: RN given refers to cpd without isomeric designation. 1-chloropropan-2-ol : A secondary alcohol that is isopropanol in which one of the methyl hydrogen atoms is substituted by chlorine.	2.13	1	organochlorine compound; secondary alcohol
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	2.69	3	chlorocarbon; chloroethenes	nephrotoxic agent
dibromopropane dibromopropane: see also record for 1,3-dibromopropane	2.1	1
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	2.05	1
(+)-limonene (4R)-limonene : An optically active form of limonene having (4R)-configuration.	2.05	1	limonene	plant metabolite
ethylenethiourea Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia.	2.05	1	imidazolidines
nadp [no description available]	1.98	1
cinnamyl anthranilate [no description available]	2.05	1	benzoate ester
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.	7.11	1	chalcogen; nonmetal atom	macronutrient
nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.	2.13	1	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.13	1	glycoside

Condition	Relationship Strength	Studies
Aneuploid [description not available]	1.98	1
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	2.25	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.24	6
Acute Hepatic Failure [description not available]	3.38	2
Agricultural Worker Disease [description not available]	2.97	1
Liver Failure, Acute A form of rapid-onset LIVER FAILURE, also known as fulminant hepatic failure, caused by severe liver injury or massive loss of HEPATOCYTES. It is characterized by sudden development of liver dysfunction and JAUNDICE. Acute liver failure may progress to exhibit cerebral dysfunction even HEPATIC COMA depending on the etiology that includes hepatic ISCHEMIA, drug toxicity, malignant infiltration, and viral hepatitis such as post-transfusion HEPATITIS B and HEPATITIS C.	3.38	2
Benign Neoplasms [description not available]	3.38	2
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	3.38	2
CACH Syndrome [description not available]	2.08	1
Diseases, Occupational [description not available]	2.08	1
Acute Disease Disease having a short and relatively severe course.	2.08	1
Cancer of Liver [description not available]	2.41	2
Liver Neoplasms Tumors or cancer of the LIVER.	2.41	2
Cancer of Intestines [description not available]	1.98	1
Cancer of Mouth [description not available]	1.98	1
Cancer of Pancreas [description not available]	1.98	1
Cancer of Skin [description not available]	1.98	1
Cancer of Stomach [description not available]	1.98	1
Cancer of the Uterus [description not available]	1.98	1
Experimental Mammary Neoplasms [description not available]	1.98	1
Intestinal Neoplasms Tumors or cancer of the INTESTINES.	1.98	1
Mouth Neoplasms Tumors or cancer of the MOUTH.	1.98	1
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	1.98	1
Skin Neoplasms Tumors or cancer of the SKIN.	1.98	1
Stomach Neoplasms Tumors or cancer of the STOMACH.	1.98	1
Uterine Neoplasms Tumors or cancer of the UTERUS.	1.98	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	1.99	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	1.97	1
Acute Liver Injury, Drug-Induced [description not available]	1.97	1
Polyploid [description not available]	1.97	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.	1.97	1

1,2,3-trichloropropane

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Research Demand Index: 43.93

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