CHEBI:184302 - 4-cyanobenzoyl chloride

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ChEBI Name 4-cyanobenzoyl chloride
ChEBI ID CHEBI:184302
Definition An acyl chloride consisting of benzoyl chloride in which the hydrogen at position 4 is replaced by a cyano group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
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Formula C8H4ClNO
Net Charge 0
Average Mass 165.580
Monoisotopic Mass 164.99814
InChI InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChIKey USEDMAWWQDFMFY-UHFFFAOYSA-N
SMILES ClC(=O)C1=CC=C(C=C1)C#N
ChEBI Ontology
Outgoing 4-cyanobenzoyl chloride (CHEBI:184302) has functional parent benzoyl chloride (CHEBI:82275)
4-cyanobenzoyl chloride (CHEBI:184302) is a acyl chloride (CHEBI:36687)
4-cyanobenzoyl chloride (CHEBI:184302) is a benzenes (CHEBI:22712)
4-cyanobenzoyl chloride (CHEBI:184302) is a nitrile (CHEBI:18379)
IUPAC Name
4-cyanobenzoyl chloride
Synonyms Sources
4-(chlorocarbonyl)benzonitrile SUBMITTER
4-cyanobenzoic acid chloride ChEBI
p-cyanobenzoyl chloride ChEBI
para-cyanobenzoyl chloride SUBMITTER
Manual Xref Database
72418 ChemSpider
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Registry Numbers Types Sources
386729 Reaxys Registry Number Reaxys
6068-72-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11277512 PubMed citation Europe PMC
11672249 PubMed citation Europe PMC
4088850 PubMed citation Europe PMC
Last Modified
26 November 2021