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CAS Number: 121358-86-9
1-benzyl-1H-pyrazole-4-carbonitrile

Structure

 1-benzyl-1H-pyrazole-4-carbonitrile
Name: 1-benzyl-1H-pyrazole-4-carbonitrile
Synonyms:
General Information
Product Number: 121358869

CAS Registry Number 121358-86-9
Name:
1H-?Pyrazole-?4-?carbonitrile, 1-?(phenylmethyl)?-
1-Benzyl-1H-pyrazole-4-carbonitrile

 

Chemical Formula: C11H9N3
Exact Mass: 183.08
Molecular Weight: 183.21
m/z: 183.08 (100.0%), 184.08 (13.0%)

 

InChI:InChI=1S/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2

InChI Key:GCGFLGKRYHSMKU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)CN2C=C(C=N2)C#N

 

Thermal Properties Value Condition Note
Melting Point 63-64 °C Solv: ligroine (8032-32-4) (5)CAS

Specification

98%
References
  1. (5) Jones, Reuben G.; Journal of the American Chemical Society 1949, V71, P3994-4000 CAPLUS
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