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CAS Number: 58481-14-4
ethyl 2-cyanoisonicotinate

Structure

 ethyl 2-cyanoisonicotinate
Name: ethyl 2-cyanoisonicotinate
Synonyms:
General Information
Product Number: 58481144

CAS Registry Number 58481-14-4
Name:
4-?Pyridinecarboxylic acid, 2-?cyano-?, ethyl ester
2-Cyanoisonicotinic acid ethyl ester
Ethyl 2-cyanoisonicotinate

 

Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)

 

InChI:InChI=1S/C9H8N2O2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2H2,1H3

InChI Key:HZIKYLAZZZSYKF-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 180 °C Press: 14 Torr (1)IC
Melting Point 42-44 °C   (1)IC

Specification

98%
References

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