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CAS Number: 7152-40-1
5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile

Structure

 5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Name: 5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Synonyms:
General Information
Product Number: 7152401

CAS Registry Number 7152-40-1
Name:
1H-?Pyrazole-?3-?acetonitrile, 5-?amino-?4-?cyano-?1-?phenyl-
Pyrazole-3-acetonitrile, 5-amino-4-cyano-1-phenyl- (6CI)
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
NSC 22494

 

Chemical Formula: C12H9N5
Exact Mass: 223.09
Molecular Weight: 223.23
m/z: 223.09 (100.0%), 224.09 (13.1%), 224.08 (1.8%), 225.09 (1.0%)

 

InChI:InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2

InChI Key:GUHSDYKJSKLWJF-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N

 

Thermal Properties Value Condition Note
Melting Point 166-167 °C Solv: ethanol (64-17-5) (3)CAS

Specification

98%
References
  1. (3) Smyth, Lynette A.; Tetrahedron 2007, V63(39), P9627-9634 CAPLUS
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