CHEBI:27991 - benzonitrile

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ChEBI Name benzonitrile
ChEBI ID CHEBI:27991
Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3033, CHEBI:22725
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Formula C7H5N
Net Charge 0
Average Mass 103.12134
InChI InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey JFDZBHWFFUWGJE-UHFFFAOYSA-N
SMILES N#Cc1ccccc1
ChEBI Ontology
Outgoing benzonitrile (CHEBI:27991) is a benzenes (CHEBI:22712)
benzonitrile (CHEBI:27991) is a nitrile (CHEBI:18379)
Incoming 2,6-dichlorobenzonitrile (CHEBI:943) has functional parent benzonitrile (CHEBI:27991)
2-({8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile (CHEBI:46581) has functional parent benzonitrile (CHEBI:27991)
3-({(5R)-3-[3-(1H-imidazol-1-yl)propyl]-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile (CHEBI:39979) has functional parent benzonitrile (CHEBI:27991)
4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile (CHEBI:42665) has functional parent benzonitrile (CHEBI:27991)
4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile (CHEBI:63872) has functional parent benzonitrile (CHEBI:27991)
4-cyanophenol (CHEBI:38622) has functional parent benzonitrile (CHEBI:27991)
benzonitrile oxide (CHEBI:37829) has functional parent benzonitrile (CHEBI:27991)
perampanel (CHEBI:71013) has functional parent benzonitrile (CHEBI:27991)
IUPAC Names
benzonitrile
phenyl cyanide
Synonyms Sources
benzenenitrile NIST Chemistry WebBook
benzoic acid nitrile NIST Chemistry WebBook
Benzonitrile KEGG COMPOUND
C6H5‒CN IUPAC
Cyanobenzene KEGG COMPOUND
Phenyl cyanide KEGG COMPOUND
Database Links Databases
Benzonitrile Wikipedia
c0367 UM-BBD
C09814 KEGG COMPOUND
CPD-15582 MetaCyc
View more database links
Registry Numbers Types Sources
100-47-0 CAS Registry Number KEGG COMPOUND
100-47-0 CAS Registry Number NIST Chemistry WebBook
100-47-0 CAS Registry Number ChemIDplus
2653 Gmelin Registry Number Gmelin
506893 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
24129580 PubMed citation CiteXplore
Last Modified
16 July 2015