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
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
Analysis of DNA damage using capillary zone electrophoresis and electrospray mass spectrometry.
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
Urinary benzene as a biomarker of exposure among occupationally exposed and unexposed subjects.
2001 Feb
Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
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
Protective effects of SM-20302, an orally active GPIIb/IIIa antagonist, in an ADP/epinephrine-induced guinea pig model of transient cerebral ischemia.
2001 Feb 1
Multicomponent polyanions. 57. Large-angle X-ray scattering study of aqueous molybdophenylphosphonate solutions.
2001 Feb 12
Photorearrangement of vinylidenecyclopropanes to 1,2,3-butatriene derivatives.
2001 Feb 22
Adsorbate-substrate vibrational modes of benzene on Ag(110) resolved with scanning tunneling spectroscopy.
2001 Feb 5
Miniaturized solid-phase extraction with resin disks.
2001 Feb 9
Preparation and applications of polypyrrole films in solid-phase microextraction.
2001 Feb 9
Application of on-site solid-phase microextraction in aquatic dissipation studies of profoxydim in rice.
2001 Feb 9
Thermal destruction of benzene.
2001 Feb-Mar
Hazardous air pollutants formation from reactions of raw meal organics in cement kilns.
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
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
Electric field-induced mobilisation of multiphase solution systems based on the nitration of benzene in a micro reactor.
2001 Jan
Solute-stationary phase interaction in gas liquid chromatography. Thermodynamic parameters for substituted halogenobenzene derivatives.
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
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
Copper(II) complexes with phenoxyalkanoic acids and nitrogen donor heterocyclic ligands: structure and bioactivity.
2001 Jan 1
Characterization of the polarity of reversed-phase liquid chromatographic stationary phases in the presence of 1-propanol using solvatochromism and multivariate curve resolution.
2001 Jan 15
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
Towards a correlation of absolute configuration and chiroptical properties of alkyl aryl sulfoxides: a coupled-oscillator foundation of the empirical Mislow rule?
2001 Jan 5
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
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
Oxidation of polychlorinated benzenes by genetically engineered CYP101 (cytochrome P450(cam)).
2001 Mar
Induction and time-dependent accumulation of micronuclei in peripheral blood of transgenic p53+/- mice, Tg.AC (v-Ha-ras) and parental wild-type (C57BL/6 and FVB/N) mice exposed to benzene by inhalation.
2001 Mar
Investigation of the in vitro metabolism profile of a phosphodiesterase-IV inhibitor, CDP-840: leading to structural optimization.
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
Interactions of tryptamine derivatives with serotonin transporter species variants implicate transmembrane domain I in substrate recognition.
2001 Mar
Amino acid residues critical for differential inhibition of CYP2B4, CYP2B5, and CYP2B1 by phenylimidazoles.
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
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