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CAS Number: 25699-83-6
4-(1H-pyrazol-1-yl)benzonitrile

Structure

 4-(1H-pyrazol-1-yl)benzonitrile
Name: 4-(1H-pyrazol-1-yl)benzonitrile
Synonyms:
General Information
Product Number: 25699836

CAS Registry Number 25699-83-6
Name:
Benzonitrile, 4-?(1H-?pyrazol-?1-?yl)?-
Benzonitrile, p-pyrazol-1-yl- (8CI)
4-(1H-Pyrazol-1-yl)benzonitrile
1-(4-Cyanophenyl)-1H-pyrazole
1-(4-Cyanophenyl)pyrazole
4-(Pyrazol-1-yl)benzonitrile

 

Chemical Formula: C10H7N3
Exact Mass: 169.06
Molecular Weight: 169.18
m/z: 169.06 (100.0%), 170.07 (10.9%), 170.06 (1.1%)

 

InChI:InChI=1S/C10H7N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H

InChI Key:SLPWCEHHSRUSKN-UHFFFAOYSA-N

Canonical SMILES:C1=CN(N=C1)C2=CC=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 89 °C   (5)CAS
Melting Point 87-89 °C   (7)CAS
Melting Point 87-88 °C   (6)CAS
Melting Point 86 °C   (4)CAS

Specification

98%
References
  1. (4) Chevallier, Floris; Organic & Biomolecular Chemistry 2011, V9(12), P4671-4684 CAPLUS
  2. (5) Taillefer, Marc; Angewandte Chemie, International Edition 2007, V46(6), P934-936 CAPLUS
  3. (6) Correa, Arkaitz; Advanced Synthesis & Catalysis 2007, V349(17+18), P2673-2676 CAPLUS
  4. (7) Yang, Kai; Journal of Organic Chemistry 2011, V76(9), P3151-3159 CAPLUS
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