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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
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
Risk of premenopausal breast cancer in association with occupational exposure to polycyclic aromatic hydrocarbons and benzene.
1999 Jun
Interferon-induced proteins are elevated in blood samples of patients with chemically or virally induced chronic fatigue syndrome.
1999 May
Benzene in blood as a biomarker of low level occupational exposure.
1999 Sep 1
Biomarkers of dose and susceptibility in cyclists exposed to monoaromatic hydrocarbons.
1999 Sep 5
Protein adducts as dosimeters of human exposure to styrene, styrene-7,8-oxide, and benzene.
1999 Sep 5
Degradation of triphenyltin by a fluorescent pseudomonad.
2000 Aug
Effects of volatile solvents on recombinant N-methyl-D-aspartate receptors expressed in Xenopus oocytes.
2000 Dec
Loss of p53 in benzene-induced thymic lymphomas in p53+/- mice: evidence of chromosomal recombination.
2000 Jun 1
Chemoprevention of benzene-induced bone marrow and pulmonary genotoxicity.
2001
Evaluation of the TOPKAT system for predicting the carcinogenicity of chemicals.
2001
Formation and inhibition of chloroaromatic micropollutants formed in incineration processes.
2001 Apr
Photocleavage of DNA by 4'-bromoacetophenone analogs.
2001 Feb
Caffeic acid phenethyl ester (CAPE): synthesis and X-ray crystallographic analysis.
2001 Feb
Phosphodiesterase 4 isoenzyme inhibitory activity of 3-phenylxanthines and 4-pheny.
2001 Feb
Absorption spectroscopic study of EDA complexes of.
2001 Feb
Sensitive and rapid method for the simultaneous quantification of the HIV-protease inhibitors indinavir, nelfinavir, ritonavir, and saquinavir in human plasma by reversed-phase liquid chromatography.
2001 Feb
Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
2001 Feb
Antiviral and antiproliferative activity in vitro of some new benzimidazole derivatives.
2001 Feb
Multicomponent polyanions. 57. Large-angle X-ray scattering study of aqueous molybdophenylphosphonate solutions.
2001 Feb 12
The role of the hinge region of the luteinizing hormone receptor in hormone interaction and signal generation.
2001 Feb 2
Enhancement, relaxation, and reversal of the stereoselectivity for phosphotriesterase by rational evolution of active site residues.
2001 Feb 6
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
Characterization of emissions during the heating of tyre contaminated scrap.
2001 Feb-Mar
An experimental and numerical study of the thermal oxidation of chlorobenzene.
2001 Feb-Mar
BTEX catabolism interactions in a toluene-acclimatized biofilter.
2001 Jan
The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats.
2001 Jan
[[Physical chemical, pharmacological and toxicologic properties of fomocaine metabolites] ].
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
Electric field-induced mobilisation of multiphase solution systems based on the nitration of benzene in a micro reactor.
2001 Jan
3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane.
2001 Jan
Two 1-substituted 4-nitroimidazoles.
2001 Jan
A saccharinate-iron(II) complex with a free saccharin molecule present, [Fe(phen)3]sac2.sacH.6H2O.
2001 Jan
Proximal cysteine residue is essential for the enzymatic activities of cytochrome P450cam.
2001 Jan
Molecular features determining lymphocyte reactivity in allergic contact dermatitis to chloramphenicol and azidamphenicol.
2001 Jan
Identification and molecular characterization of an efflux system involved in Pseudomonas putida S12 multidrug resistance.
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
Quantification of derivatives of bisphenol A diglycidyl ether (BADGE) and novolac glycidyl ether (NOGE) migrated from can coatings into tuna by HPLC/fluorescence and MS detection.
2001 Jan 2
Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 2: structure-activity relationships for substituted 2-Aryl-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-(piperidin-1-yl)butanes.
2001 Jan 22
Design and synthesis of sialyl Lewis x mimics as E-selectin inhibitors.
2001 Jan 22
Effects of mono-, di- and tri-hydroxybenzoic acids on the nitrosation of propranolol: structure-activity relationship.
2001 Jan 25
DFT/ECP study of C-H activation by (PCP)Ir and (PCP)Ir(H)2(PCP=eta3-1,3-C6H3(CH2PR2)2). Enthalpies and free energies of associative and dissociative pathways.
2001 Jan-Feb
Occupational health for firefighters.
2001 Jan-Mar
Amino acid residues critical for differential inhibition of CYP2B4, CYP2B5, and CYP2B1 by phenylimidazoles.
2001 Mar
Air pollution from traffic at the residence of children with cancer.
2001 Mar 1
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