hexafluorobenzene profile

Hexafluorobenzene is a colorless, odorless, and highly volatile liquid. It is synthesized by the direct fluorination of benzene or by the reaction of hexachlorobenzene with potassium fluoride. Hexafluorobenzene is an important starting material for the production of other fluorinated compounds, such as pharmaceuticals, pesticides, and polymers. It is also studied for its unique electronic properties and its ability to act as a solvent. Hexafluorobenzene is a relatively inert compound, but it can react with strong nucleophiles. It is also a good electron acceptor and can form charge-transfer complexes with electron donors.'

ID Source	ID
PubMed CID	9805
CHEBI ID	38589
MeSH ID	M0043914

Synonym
perfluorobenzene
nsc21628
cp 28
wln: fr bf cf df ef ff
392-56-3
nsc-21628
benzene, hexafluoro-
hexafluorobenzene ,
1,2,3,4,5,6-hexafluorobenzene
CHEBI:38589
hexafluorbenzol
einecs 206-876-2
c6f6
nsc 21628
hfb ,
inchi=1/c6f6/c7-1-2(8)4(10)6(12)5(11)3(1)9
zqbfaoffoqmsgj-uhfffaoysa-
hexafluorobenzene, 99%
hexafluorobenzene, >=99.5%, nmr grade
H0085
AKOS000120141
benzene, 1,2,3,4,5,6-hexafluoro-
cmc18t611k ,
unii-cmc18t611k
FT-0600880
S10932
hexafluorobenzene [mi]
DTXSID5043924
hexafluoro benzene
mfcd00000288
F8881-4208
STL453689
J-521440
hexafluorobenzene,= 99.5%, nmr grade
Q412413
AMY12532
FS-5085
CS-0121350
EN300-19365

Excerpt	Reference	Relevance
"In this study, the effect of monopotassium phosphate (MKP) on the reduction in mobility and bioavailability of 2,4,6-trinitrotoluene (TNT) was tested."	( Mobility and bioavailability reduction of soil TNT via sorption enhancement using monopotassium phosphate. Jung, JW; Nam, K, 2014)	0.4

Role	Description
NMR chemical shift reference compound	Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
[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
fluorobenzenes	Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.
fluorocarbon	Compounds consisting wholly of fluorine and carbon.
[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]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	7 (12.07)	18.7374
1990's	7 (12.07)	18.2507
2000's	22 (37.93)	29.6817
2010's	22 (37.93)	24.3611
2020's	0 (0.00)	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	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	61 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
benzene [no description available]	3.65	9	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.11	1	halide anion; monoatomic bromine
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).	2.43	2	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.11	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.48	2	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.11	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.	1.95	1	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
pentachlorophenol PENTA: structure given in first source	2.15	1	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.05	1	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.37	2	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
halothane [no description available]	2.03	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexobarbital Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups.	1.96	1	barbiturates
propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.	2.03	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
hexabromobenzene [no description available]	7.67	3
nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.	2.01	1	nitroarene; nitrobenzenes
3-dinitrobenzene dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.	2.06	1	dinitrobenzene	neurotoxin
1,4-dinitrobenzene 1,4-dinitrobenzene : A dinitrobenzene carrying nitro groups at positions 1 and 4.	2.06	1	dinitrobenzene
benzonitrile benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.	1.96	1	benzenes; nitrile
chlorobenzene [no description available]	2.15	1	monochlorobenzenes	solvent
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	8.1	5	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
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.	2.1	1	trinitrotoluene	explosive
2,4-dinitrotoluene 2,4-dinitrotoluene : A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.	2.1	1	dinitrotoluene
chloropentafluorobenzene [no description available]	2.03	1
1,2-difluorobenzene 1,2-difluorobenzene : A difluorobenzene carrying fluoro groups at positions 1 and 2.. difluorobenzene : Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms.	2.73	3	difluorobenzene	anaesthetic
1,3,5-trifluorobenzene [no description available]	2.47	2
fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.	3.56	8	monofluorobenzenes	NMR chemical shift reference compound
2,3,4,5,6-pentafluoroaniline 2,3,4,5,6-pentafluoroaniline: structure given in first source	2.08	1
2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluorophenol: RN given refers to parent cpd; structure given in first source	2.46	2
fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position.	7.05	1	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	2.11	1	carbon oxoanion
argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.	2.47	2	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	2.03	1	chromium group element atom; metal allergen	micronutrient
fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.	8.24	6	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
hexamethyldisiloxane dimethicone: a linear silicone; an ingredient of SIMETHICONE; lotion of dimeticone in a volatile silicone base has been used to treat LICE	2.03	1	organosiloxane
fluorides [no description available]	2.37	2	halide anion; monoatomic fluorine
iodine [no description available]	2.21	1	halide anion; monoatomic iodine	human metabolite
alkenes [no description available]	2.04	1
potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid.	2.1	1	inorganic phosphate salt; inorganic potassium salt
carbogen carbogen: mixture of 95% O2 & 5% CO2	2.4	2
arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system	2.11	1	oligopeptide
carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).	2.05	1	carbene; methanediyl
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.15	1	oxygen hydride; oxygen radical; reactive oxygen species
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.13	1	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.48	2	cyclodextrin
12-tungstophosphoric acid [no description available]	2.03	1
perfluoro-1,4,7,10,13-pentaoxacyclopentadecane [no description available]	2.48	2
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.57	2	cysteinium	fundamental metabolite
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.	2.48	2

Condition	Relationship Strength	Studies
Benign Neoplasms [description not available]	2.71	3
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.	2.71	3
Adenocarcinoma, Basal Cell [description not available]	2.91	4
Anoxemia [description not available]	2.01	1
Breast Cancer [description not available]	2.01	1
Animal Mammary Carcinoma [description not available]	2.01	1
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	2.91	4
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	2.01	1
Breast Neoplasms Tumors or cancer of the human BREAST.	2.01	1
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	1.93	1
Granuloma, Hodgkin [description not available]	2.01	1
Hodgkin Disease A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.	2.01	1
Experimental Neoplasms [description not available]	2.02	1
Cancer of Prostate [description not available]	3.38	7
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	3.38	7
Ache [description not available]	2.04	1
Decerebrate Posturing [description not available]	2.04	1
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	2.04	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.36	2
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.	1.96	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	1.96	1
Porphyria [description not available]	7.37	2
Porphyrias A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues.	2.37	2
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)	1.99	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	1.99	1

hexafluorobenzene

Cross-References

Synonyms (39)

Research Excerpts

Bioavailability

Roles (1)

Drug Classes (2)

Research

Studies (58)

Market Indicators

Research Demand Index: 38.92

Study Types