U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6
Molecular Weight 78.1118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENE

SMILES

C1=CC=CC=C1

InChI

InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

HIDE SMILES / InChI

Molecular Formula C6H6
Molecular Weight 78.1118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Phenyl sodium is organometallic compound. It is used to carry exchange reactions to produce phenylmalonic acid.

Originator

Curator's Comment: Am. Chem. Journal, 29, 589 (1903).

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Induction of apoptosis by remoxipride metabolites in HL60 and CD34+/CD19- human bone marrow progenitor cells: potential relevance to remoxipride-induced aplastic anemia.
1999 Aug 1
Absorption, metabolism, and disposition of 1,3-diphenyl-1-triazene in rats and mice after oral, i.v., and dermal administration.
1999 Dec
Metabolism of benzene in human liver microsomes: individual variations in relation to CYP2E1 expression.
1999 Feb
A potential mechanism underlying the increased susceptibility of individuals with a polymorphism in NAD(P)H:quinone oxidoreductase 1 (NQO1) to benzene toxicity.
1999 Jul 6
Interferon-induced proteins are elevated in blood samples of patients with chemically or virally induced chronic fatigue syndrome.
1999 May
Loss of p53 in benzene-induced thymic lymphomas in p53+/- mice: evidence of chromosomal recombination.
2000 Jun 1
Cardiovascular studies on different classes of soft drugs.
2000 Mar
Bioconversion of vitamin E acetate in human skin.
2001
Evaluation of the TOPKAT system for predicting the carcinogenicity of chemicals.
2001
Photocleavage of DNA by 4'-bromoacetophenone analogs.
2001 Feb
BAPS prize-1999: Lung growth induced by prenatal tracheal occlusion and its modifying factors: a study in the rat model of congenital diaphragmatic hernia.
2001 Feb
Antiviral and antiproliferative activity in vitro of some new benzimidazole derivatives.
2001 Feb
Combining membrane extraction with mobile gas chromatography for the field analysis of volatile organic compounds in contaminated waters.
2001 Feb 9
Application of on-site solid-phase microextraction in aquatic dissipation studies of profoxydim in rice.
2001 Feb 9
An experimental and numerical study of the thermal oxidation of chlorobenzene.
2001 Feb-Mar
Thermal destruction of benzene.
2001 Feb-Mar
The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats.
2001 Jan
Desulfosporosinus meridiei sp. nov., a spore-forming sulfate-reducing bacterium isolated from gasolene-contaminated groundwater.
2001 Jan
Interfacial study of benzenesulfinate chemisorbed on silver.
2001 Jan
Determination of low concentrations of benzene in urine using multi-dimensional gas chromatography.
2001 Jan
N-nitrosoanilines: a new class of caspase-3 inhibitors.
2001 Jan
Triarylpyrazoles with basic side chains: development of pyrazole-based estrogen receptor antagonists.
2001 Jan
Comparison of binding of tetraphenylborate and tetraphenylphosphonium ions to cyclodextrins studied by capillary electrophoresis.
2001 Jan
Biological monitoring of workers exposed to ethylbenzene and co-exposed to xylene.
2001 Jan
Two 1-substituted 4-nitroimidazoles.
2001 Jan
Cytotoxic constituents from leaves of Aglaia elliptifolia.
2001 Jan
Diffuse X-ray scattering from benzil, C(14)H(10)O(2): analysis via automatic refinement of a Monte Carlo model.
2001 Jan
Suppression of depleted uranium-induced neoplastic transformation of human cells by the phenyl fatty acid, phenyl acetate: chemoprevention by targeting the p21RAS protein pathway.
2001 Jan
Butachlor, thiobencarb, and chlomethoxyfen movement in subtropical soils.
2001 Jan
Copper(II) complexes with phenoxyalkanoic acids and nitrogen donor heterocyclic ligands: structure and bioactivity.
2001 Jan 1
The influence of GSTM1 null genotype on susceptibility to in vitro oxidative stress.
2001 Jan 26
The influence of different soil constituents on the reaction kinetics of wet oxidation of the creosote compound quinoline.
2001 Jan 29
Catalytic hydrodechlorination of tetrachloroethylene over red mud.
2001 Jan 29
Self-assembly and selective guest binding of three-dimensional open-framework solids from a macrocyclic complex as a trifunctional metal building block.
2001 Jan 5
Benzene-induced myelodysplastic syndrome.
2001 Jan-Feb
A rigid linker-scaffold for solid-phase synthesis of dimeric pharmacophores.
2001 Jan-Feb
Oxidation of polychlorinated benzenes by genetically engineered CYP101 (cytochrome P450(cam)).
2001 Mar
In vitro inhibition of cytochrome P450 enzymes in human liver microsomes by a potent CYP2A6 inhibitor, trans-2-phenylcyclopropylamine (tranylcypromine), and its nonamine analog, cyclopropylbenzene.
2001 Mar
Exposure to benzene in urban workers: environmental and biological monitoring of traffic police in Rome.
2001 Mar
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:00:54 GMT 2023
Edited
by admin
on Fri Dec 15 15:00:54 GMT 2023
Record UNII
J64922108F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENE
HSDB   MART.   MI   VANDF   WHO-DD  
Systematic Name English
BENZENE [IARC]
Common Name English
COAL NAPHTHA
Common Name English
BENZENE [USP-RS]
Common Name English
BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
1,3,5-CYCLOHEXATRIENE
Systematic Name English
BENZENE (BENZOL)
Systematic Name English
BENZENE [MART.]
Common Name English
BENZENE [HSDB]
Common Name English
NCI-C55276
Common Name English
ACETONE IMPURITY C [EP IMPURITY]
Common Name English
NSC-67315
Code English
CYCLOHEXATRIENE
Systematic Name English
Benzene [WHO-DD]
Common Name English
BENZINUM [HPUS]
Common Name English
BENZENE [VANDF]
Common Name English
BENZINUM
HPUS  
Common Name English
BENZENE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C44351
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
IARC Benzene
NCI_THESAURUS C1915
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
200-753-7
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
HSDB
34
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
MESH
D001554
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
NCI_THESAURUS
C302
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
RS_ITEM_NUM
1601146
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
EVMPD
SUB13010MIG
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
MERCK INDEX
m2338
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY Merck Index
NSC
67315
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID3039242
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
CAS
71-43-2
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
DAILYMED
J64922108F
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
CHEBI
16716
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
RXCUI
1311295
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY RxNorm
FDA UNII
J64922108F
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
SMS_ID
100000077173
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
PUBCHEM
241
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
WIKIPEDIA
BENZENE
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
Related Record Type Details
ACTIVE MOIETY