CHEBI:51853 - benzoyl cyanide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzoyl cyanide
ChEBI ID CHEBI:51853
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H5NO
Net Charge 0
Average Mass 131.13144
Monoisotopic Mass 131.03711
InChI InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChIKey GJQBHOAJJGIPRH-UHFFFAOYSA-N
SMILES O=C(C#N)c1ccccc1
ChEBI Ontology
Outgoing benzoyl cyanide (CHEBI:51853) has functional parent benzoic acid (CHEBI:30746)
benzoyl cyanide (CHEBI:51853) is a α-ketonitrile (CHEBI:51852)
benzoyl cyanide (CHEBI:51853) is a aromatic ketone (CHEBI:76224)
IUPAC Name
oxo(phenyl)acetonitrile
Synonyms Sources
α-oxo-α-tolunitrile NIST Chemistry WebBook
α-Oxobenzeneacetonitrile NIST Chemistry WebBook
benzoyl cyanide UniProt
Benzoyl nitrile ChemIDplus
Oxo(phenyl)acetonitrile NIST Chemistry WebBook
Phenylglyoxylonitrile ChemIDplus
Registry Numbers Types Sources
1072101 Beilstein Registry Number Beilstein
613-90-1 CAS Registry Number NIST Chemistry WebBook
613-90-1 CAS Registry Number ChemIDplus
Last Modified
19 July 2016