CHEBI:59858 - benzyl bromide

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ChEBI Name benzyl bromide ChEBI ID CHEBI:59858 Definition A member of the class of benzyl bromides that is toluene substituted on the α-carbon with bromine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H7Br Net Charge 0 Average Mass 171.03400 Monoisotopic Mass 169.97311 InChI InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N SMILES BrCc1ccccc1 Roles Classification Biological Role(s): lachrymator Any substance that stimulates the corneal nerves in the eves to cause tears. View more via ChEBI Ontology ChEBI Ontology Outgoing benzyl bromide (CHEBI:59858) has role lachrymator (CHEBI:74136) benzyl bromide (CHEBI:59858) is a benzyl bromides (CHEBI:59857) IUPAC Name (bromomethyl)benzene Synonyms Sources α-bromotoluene ChemIDplus Bromophenylmethane ChemIDplus Phenylmethyl bromide ChemIDplus Manual Xref Database Benzyl_bromide Wikipedia View more database links Registry Numbers Types Sources 100-39-0 CAS Registry Number NIST Chemistry WebBook 100-39-0 CAS Registry Number ChemIDplus 358801 Beilstein Registry Number Beilstein 385801 Reaxys Registry Number Reaxys Citations Types Sources 22772355 PubMed citation Europe PMC 23795619 PubMed citation Europe PMC Last Modified 27 March 2014