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CAS Number: 89284-61-7
4-chloronicotinonitrile

Structure

4-chloronicotinonitrile
Name: 4-chloronicotinonitrile
Synonyms:
General Information
Product Number: 89284617

CAS Registry Number 89284-61-7
Name:
3-​Pyridinecarbonitrile​, 4-​chloro-
Nicotinonitrile, 4-chloro- (7CI)
4-Chloro-3-cyanopyridine
4-Chloronicotinonitrile
4-Chloropyridine-3-carbonitrile

 

Chemical Formula: C6H3ClN2
Exact Mass: 138.00
Molecular Weight: 138.55
m/z: 138.00 (100.0%), 140.00 (32.0%), 139.00 (7.3%), 141.00 (2.1%)

 

InChI:InChI=1S/C6H3ClN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H

InChI Key:QBKPXDUZFDINDV-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC(=C1Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 101-102 °C   (4)IC
Melting Point 86 °C   (2)CAS
Melting Point 86 °C   (1)CAS

Specification

98%

References
  1. (1) Cailly, Thomas; Tetrahedron 2006, V62(25), P5862-5867 CAPLUS
  2. (2) Cailly, Thomas; Synthesis 2007, (20), P3247-3251 CAPLUS
  3. (4) Yamanaka, Hiroshi; Chemical & Pharmaceutical Bulletin 1988, V36(6), P2244-7 CAPLUS
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