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CAS Number: 94413-64-6
methyl 2-cyanoisonicotinate

Structure

methyl 2-cyanoisonicotinate
Name: methyl 2-cyanoisonicotinate
Synonyms:
General Information
Product Number: 94413646

CAS Registry Number 94413-64-6
Name:
4-​Pyridinecarboxylic acid, 2-​cyano-​, methyl ester
Isonicotinic acid, 2-cyano-, methyl ester (6CI)
Methyl 2-cyanoisonicotinate

 

Chemical Formula: C8H6N2O2
Exact Mass: 162.04
Molecular Weight: 162.15
m/z: 162.04 (100.0%), 163.05 (8.8%)

 

InChI:InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3

InChI Key:ORVHMLCJEKDDAX-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=NC=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 107-109 °C   (2)CAS

Specification

98%

References
  1. (2) Tani, Hideo; Yakugaku Zasshi 1960, V80, P1418-24 CAPLUS
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