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CAS Number: 97483-79-9
ethyl 6-cyanopicolinate

Structure

ethyl 6-cyanopicolinate
Name: ethyl 6-cyanopicolinate
Synonyms:
General Information
Product Number: 97483799
CAS Registry Number: 97483-79-9
Name:
        2-​Pyridinecarboxylic acid, 6-​cyano-​, ethyl ester
 
Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)
Elemental Analysis: C, 61.36; H, 4.58; N, 15.90; O, 18.16
 
InChI: InChI=1S/C9H8N2O2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2H2,1H3
InChIKey: FYOOHRDXEPERKP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=CC(=N1)C#N
 
InChI: InChI=1S/C9H8N2O2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2H2,1H3
InChIKey: FYOOHRDXEPERKP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=CC(=N1)C#N
 
Thermal Properties Value Condition Note
Melting Point 71-72 °C Solv: ethyl ether (60-29-7) (1)IC

Specification

98%

References
  1. (1) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1985, V33(2), P565-71 CAPLUS
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