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CAS Number: 78686-83-6
methyl 2-chloro-5-iodonicotinate

Structure

methyl 2-chloro-5-iodonicotinate
Name: methyl 2-chloro-5-iodonicotinate
Synonyms:
General Information
Product Number: 78686836

CAS Registry Number 78686-83-6
Name:
3-​Pyridinecarboxylic acid, 2-​chloro-​5-​iodo-​, methyl ester
2-Chloro-5-iodonicotinic acid methyl ester
Methyl 2-chloro-5-iodonicotinate

 

Chemical Formula: C7H5ClINO2
Exact Mass: 296.91
Molecular Weight: 297.48
m/z: 296.91 (100.0%), 298.90 (32.0%), 297.91 (7.7%), 299.91 (2.5%)

 

InChI:InChI=1S/C7H5ClINO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3

InChI Key:XJAILSCNCPJQPH-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=CN=C1Cl)I

 

Thermal Properties Value Condition Note
Melting Point 73-73.5 °C   (1)IC
Melting Point 73-73.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (2)IC

Specification

98%

References
  1. (1) Taylor, Edward C.; Journal of Organic Chemistry 1989, V54(15), P3618-24 CAPLUS
  2. (2) Taylor, Edward C.; EP 265126 A2 1988 CAPLUS
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