CHEBI:60719 - 2-chlorobenzoyl chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-chlorobenzoyl chloride
ChEBI ID CHEBI:60719
Definition An acyl chloride consisting of benzoyl chloride having a chloro substituent in the ortho-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H4Cl2O
Net Charge 0
Average Mass 175.01200
Monoisotopic Mass 173.96392
InChI InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKey ONIKNECPXCLUHT-UHFFFAOYSA-N
SMILES ClC(=O)c1ccccc1Cl
ChEBI Ontology
Outgoing 2-chlorobenzoyl chloride (CHEBI:60719) has functional parent 2-chlorobenzoic acid (CHEBI:30793)
2-chlorobenzoyl chloride (CHEBI:60719) is a acyl chloride (CHEBI:36687)
2-chlorobenzoyl chloride (CHEBI:60719) is a monochlorobenzenes (CHEBI:83403)
Synonym Source
o-Chlorobenzoyl chloride NIST Chemistry WebBook
Registry Numbers Types Sources
386435 Reaxys Registry Number Reaxys
609-65-4 CAS Registry Number ChemIDplus
609-65-4 CAS Registry Number NIST Chemistry WebBook
Last Modified
23 October 2014