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CHEBI:27982 - (2-methylphenyl)acetonitrile

ChEBI IDCHEBI:27982
ChEBI Name(2-methylphenyl)acetonitrile
Stars
DefinitionA nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group.
Secondary ChEBI IDsCHEBI:9628, CHEBI:27025
Last Modified18 July 2011
DownloadsMolfile
FormulaC9H9N
Net Charge0
Average Mass131.178
Monoisotopic Mass131.07350
SMILESCc1ccccc1CC#N
InChIInChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3
InChIKeyWMGVPDQNPUQRND-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2-methylphenyl)acetonitrile (CHEBI:27982) has functional parent acetonitrile (CHEBI:38472)
(2-methylphenyl)acetonitrile (CHEBI:27982) is a nitrile (CHEBI:18379)
IUPAC Name 
(2-methylphenyl)acetonitrile
Synonyms  Source
TolylacetonitrileKEGG COMPOUND
o-TolylacetonitrileKEGG COMPOUND
o-Methylbenzyl cyanideKEGG COMPOUND
2-MethylbezeneacetonitrileKEGG COMPOUND
2-methylbenzyl cyanideNIST Chemistry WebBook
o-methylphenylacetonitrileNIST Chemistry WebBook
Manual XrefsDatabases
C02596KEGG COMPOUND
Registry NumbersSources
Reaxys:907182Reaxys
CAS:22364-68-7KEGG COMPOUND
CAS:22364-68-7ChemIDplus
CAS:22364-68-7NIST Chemistry WebBook