bromobenzene (CHEBI:3179)

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ChEBI Name	bromobenzene

ChEBI ID	CHEBI:3179

Definition	The simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. −30°C; b.p.₇₆₀ 156°C), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H5Br

Net Charge

Average Mass

157.00790

Monoisotopic Mass

155.95746

InChI

InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

QARVLSVVCXYDNA-UHFFFAOYSA-N

SMILES

Brc1ccccc1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Chemical Role(s):	non-polar solvent

Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). hepatotoxic agent A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.

Application(s):	non-polar solvent

ChEBI Ontology
Outgoing	bromobenzene (CHEBI:3179) has role hepatotoxic agent (CHEBI:50908) bromobenzene (CHEBI:3179) has role mouse metabolite (CHEBI:75771) bromobenzene (CHEBI:3179) has role non-polar solvent (CHEBI:48355) bromobenzene (CHEBI:3179) is a bromoarene (CHEBI:37148) bromobenzene (CHEBI:3179) is a bromobenzenes (CHEBI:37149) bromobenzene (CHEBI:3179) is a volatile organic compound (CHEBI:134179)

Incoming	(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) has functional parent bromobenzene (CHEBI:3179) (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent bromobenzene (CHEBI:3179)

IUPAC Name

bromobenzene

Last Modified

15 December 2016