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ChEBI Name benzonitrile ChEBI ID CHEBI:27991 Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H5N Net Charge 0 Average Mass 103.12134 Monoisotopic Mass 103.04220 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 Manual Xrefs 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 Type Source 24129580 PubMed citation Europe PMC Last Modified 16 July 2015