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CAS Number: 76196-79-7
ethyl 6-cyanonicotinate

Structure

ethyl 6-cyanonicotinate
Name: ethyl 6-cyanonicotinate
Synonyms:
General Information
Product Number: 76196797
CAS Registry Number: 76196-79-7
Name:
        3-​Pyridinecarboxylic acid, 6-​cyano-​, ethyl ester
        Nicotinic acid, 6-​cyano-​, ethyl ester (6CI); 6-​Cyanopyridine-​3-​carboxylic acid 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)7-3-4-8(5-10)11-6-7/h3-4,6H,2H2,1H3
InChIKey: OAUYNMCBOPUJCL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(C=C1)C#N
 
Thermal Properties Value Condition Note
Boiling Point 125 °C Press: 3 Torr (1)IC
Melting Point 55.5-56.5 °C   (3)CAS

Specification

98%

References

  • (1) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1985, V33(2), P565-71 CAPLUS
  • (2) Katritzky, Alan R.; Synthesis 2005, (6), P993-997 CAPLUS
  • (3) Tani, Hideo; Yakugaku Zasshi 1961, V81, P141-3 CAPLUS
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