CHEBI:82275 - benzoyl chloride

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ChEBI Name benzoyl chloride
ChEBI ID CHEBI:82275
Definition An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H5ClO
Net Charge 0
Average Mass 140.570
Monoisotopic Mass 140.00289
InChI InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey PASDCCFISLVPSO-UHFFFAOYSA-N
SMILES ClC(=O)C1=CC=CC=C1
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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ChEBI Ontology
Outgoing benzoyl chloride (CHEBI:82275) has functional parent benzoic acid (CHEBI:30746)
benzoyl chloride (CHEBI:82275) has role carcinogenic agent (CHEBI:50903)
benzoyl chloride (CHEBI:82275) is a acyl chloride (CHEBI:36687)
benzoyl chloride (CHEBI:82275) is a benzenes (CHEBI:22712)
Incoming 4-cyanobenzoyl chloride (CHEBI:184302) has functional parent benzoyl chloride (CHEBI:82275)
IUPAC Name
benzoyl chloride
Synonyms Sources
α-chlorobenzaldehyde ChemIDplus
benzenecarbonyl chloride ChemIDplus
benzoic acid chloride ChemIDplus
Manual Xrefs Databases
Benzoyl_chloride Wikipedia
C19168 KEGG COMPOUND
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Registry Numbers Types Sources
471389 Reaxys Registry Number Reaxys
98-88-4 CAS Registry Number ChemIDplus
98-88-4 CAS Registry Number NIST Chemistry WebBook
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Last Modified
26 November 2021