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CAS Number: 144397-70-6
4-(pyridin-4-yl)benzonitrile

Structure

 4-(pyridin-4-yl)benzonitrile
Name: 4-(pyridin-4-yl)benzonitrile
Synonyms:
General Information
Product Number: 144397706

CAS Registry Number 144397-70-6
Name:
Benzonitrile, 4-?(4-?pyridinyl)?-
4-(4-Pyridyl)benzonitrile
4-(Pyridin-4-yl)benzonitrile

 

Chemical Formula: C12H8N2
Exact Mass: 180.07
Molecular Weight: 180.21
m/z: 180.07 (100.0%), 181.07 (13.7%)

 

InChI:InChI=1S/C12H8N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-8H

InChI Key:FAEOEJIIPHVFLT-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C#N)C2=CC=NC=C2

 

Thermal Properties Value Condition Note
Melting Point 77-78 °C   (1)ACD
Melting Point 75-76 °C   (2)CAS

Specification

98%
References
  1. (1) Cho, Su-Dong; Tetrahedron 2007, V63(6), P1345-1352 CAPLUS
  2. (2) Duong, Adam; Journal of Physical Chemistry C 2011, V115(26), P12908-12919 CAPLUS
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