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CHEBI:82275 - benzoyl chloride

Default Structure
ChEBI IDCHEBI:82275
ChEBI Namebenzoyl chloride
Stars
DefinitionAn 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.
Last Modified26 November 2021
DownloadsMolfile
FormulaC7H5ClO
Net Charge0
Average Mass140.569
Monoisotopic Mass140.00289
SMILESO=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyPASDCCFISLVPSO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
4-cyanobenzoyl chloride (CHEBI:184302) has functional parent benzoyl chloride (CHEBI:82275)
IUPAC Name 
benzoyl chloride
Synonyms  Source
benzenecarbonyl chlorideChemIDplus
benzoic acid chlorideChemIDplus
α-chlorobenzaldehydeChemIDplus
Manual XrefsDatabases
Benzoyl_chlorideWikipedia
C19168KEGG COMPOUND
Registry NumbersSources
Reaxys:471389Reaxys
CAS:98-88-4NIST Chemistry WebBook
CAS:98-88-4ChemIDplus
Citations