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CHEBI:17346 - 4-chlorophenylacetonitrile

ChEBI IDCHEBI:17346
ChEBI Name4-chlorophenylacetonitrile
Stars
DefinitionA nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group.
Secondary ChEBI IDsCHEBI:1810, CHEBI:11977, CHEBI:20344
Last Modified7 September 2015
DownloadsMolfile
FormulaC8H6ClN
Net Charge0
Average Mass151.596
Monoisotopic Mass151.01888
SMILESN#CCc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKeyIVYMIRMKXZAHRV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorophenylacetonitrile (CHEBI:17346) has functional parent acetonitrile (CHEBI:38472)
4-chlorophenylacetonitrile (CHEBI:17346) is a monochlorobenzenes (CHEBI:83403)
4-chlorophenylacetonitrile (CHEBI:17346) is a nitrile (CHEBI:18379)
IUPAC Name 
(4-chlorophenyl)acetonitrile
Synonyms  Source
4-chlorobenzeneacetonitrileChemIDplus
4-Chlorobenzyl cyanideKEGG COMPOUND
4-ChlorophenylacetonitrileKEGG COMPOUND
p-chlorobenzyl cyanideNIST Chemistry WebBook
(p-chlorophenyl)acetonitrileNIST Chemistry WebBook
UniProt Name  Source
4-chlorophenylacetonitrileUniProt
Manual XrefsDatabases
C03679KEGG COMPOUND
Registry NumbersSources
Gmelin:1125640Gmelin
Beilstein:971171Beilstein
CAS:140-53-4KEGG COMPOUND
CAS:140-53-4ChemIDplus
CAS:140-53-4NIST Chemistry WebBook