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CAS Number: 98645-43-3
2-chloro-4-methoxynicotinonitrile

Structure

2-chloro-4-methoxynicotinonitrile
Name: 2-chloro-4-methoxynicotinonitrile
Synonyms:
General Information
Product Number: 98645433

CAS Registry Number 98645-43-3
Name:
3-​Pyridinecarbonitrile​, 2-​chloro-​4-​methoxy-
2-Chloro-3-cyano-4-methoxypyridine
2-Chloro-4-methoxy-3-pyridinecarbonitrile
2-Chloro-4-methoxynicotinonitrile

 

Chemical Formula: C7H5ClN2O
Exact Mass: 168.01
Molecular Weight: 168.58
m/z: 168.01 (100.0%), 170.01 (32.2%), 169.01 (8.3%), 171.01 (2.5%)

 

InChI:InChI=1S/C7H5ClN2O/c1-11-6-2-3-10-7(8)5(6)4-9/h2-3H,1H3

InChI Key:MOKUXMQJIYHZCA-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=NC=C1)Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 175-176 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 168 °C Solv: methanol (67-56-1) (1)IC

Specification

98%

References
  1. (1) Mittelbach, Martin; Archiv der Pharmazie (Weinheim, Germany) 1985, V318(6), P481-6 CAPLUS
  2. (2) Ferlin, Maria Grazia; Tetrahedron 2006, V62(26), P6222-6227 CAPLUS
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