CHEBI:17346 - 4-chlorophenylacetonitrile

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ChEBI Name 4-chlorophenylacetonitrile
ChEBI ID CHEBI:17346
Definition A nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11977, CHEBI:20344, CHEBI:1810
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Formulae C8H6ClN
C8H6ClN
Net Charge 0
Average Mass 151.59300
Monoisotopic Mass 151.01888
InChI InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey IVYMIRMKXZAHRV-UHFFFAOYSA-N
SMILES Clc1ccc(CC#N)cc1
ChEBI Ontology
Outgoing 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 Sources
(p-chlorophenyl)acetonitrile NIST Chemistry WebBook
4-chlorobenzeneacetonitrile ChemIDplus
4-Chlorobenzyl cyanide KEGG COMPOUND
4-Chlorophenylacetonitrile KEGG COMPOUND
4-chlorophenylacetonitrile UniProt
p-chlorobenzyl cyanide NIST Chemistry WebBook
Manual Xref Database
C03679 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1125640 Gmelin Registry Number Gmelin
140-53-4 CAS Registry Number KEGG COMPOUND
140-53-4 CAS Registry Number NIST Chemistry WebBook
140-53-4 CAS Registry Number ChemIDplus
971171 Beilstein Registry Number ChemIDplus
Last Modified
07 September 2015