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CAS Number: 71292-11-0
4-(2-cyanoacetyl)benzonitrile

Structure

 4-(2-cyanoacetyl)benzonitrile
Name: 4-(2-cyanoacetyl)benzonitrile
Synonyms:
General Information
Product Number: 71292110

CAS Registry Number 71292-11-0
Name:
Benzenepropanenitril?e, 4-?cyano-?β-?oxo-
(4-Cyanobenzoyl)acetonitrile
4-(2-Cyanoacetyl)benzonitrile
4-(Cyanoacetyl)benzonitrile

 

Chemical Formula: C10H6N2O
Exact Mass: 170.05
Molecular Weight: 170.17
m/z: 170.05 (100.0%), 171.05 (11.7%)

 

InChI:InChI=1S/C10H6N2O/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5H2

InChI Key:HFABIHFBLNTOOW-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C#N)C(=O)CC#N

 

Thermal Properties Value Condition Note
Melting Point 126-129 °C   (1)IC

Specification

98%
References
  1. (1) Ridge, David N.; Journal of Medicinal Chemistry 1979, V22(11), P1385-9 CAPLUS
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