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CAS Number: 68325-15-5
3-chloroisonicotinonitrile

Structure

 3-chloroisonicotinonitrile
Name: 3-chloroisonicotinonitrile
Synonyms:
General Information
Product Number: 68325155

CAS Registry Number 68325-15-5
Name:
4-?Pyridinecarbonitrile?, 3-?chloro-
Isonicotinonitrile, 3-chloro- (7CI)
3-Chloro-4-pyridinecarbonitrile
3-Chloro-4-cyanopyridine
3-Chloroisonicotinonitrile

 

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/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

InChI Key:JLLJPPBGJVCFGG-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC(=C1C#N)Cl

 

Thermal Properties Value Condition Note
Melting Point 80 °C   (1)CAS
Melting Point 80 °C   (2)CAS
Melting Point 71-72 °C Solv: ligroine (8032-32-4) (4)IC

Specification

98%
References
  1. (1) Cailly, Thomas; Tetrahedron Letters 2005, V46(1), P135-137 CAPLUS
  2. (2) Cailly, Thomas; Tetrahedron 2006, V62(25), P5862-5867 CAPLUS
  3. (4) Rokach, Joshua; Journal of Heterocyclic Chemistry 1978, V15(4), P683-4 CAPLUS
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