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CAS Number: 64119-42-2
ethyl 6-chloro-5-cyano-2-methylnicotinate

Structure

 ethyl 6-chloro-5-cyano-2-methylnicotinate
Name: ethyl 6-chloro-5-cyano-2-methylnicotinate
Synonyms:
General Information
Product Number: 64119422

CAS Registry Number 64119-42-2
Name:
3-?Pyridinecarboxylic acid, 6-?chloro-?5-?cyano-?2-?methyl-?, ethyl ester
Nicotinic acid, 6-chloro-5-cyano-2-methyl-, ethyl ester (6CI)
Ethyl 6-chloro-5-cyano-2-methylnicotinate

 

Chemical Formula: C10H9ClN2O2
Exact Mass: 224.04
Molecular Weight: 224.64
m/z: 224.04 (100.0%), 226.03 (32.0%), 225.04 (11.0%), 227.04 (3.6%), 226.04 (1.0%)

 

InChI:InChI=1S/C10H9ClN2O2/c1-3-15-10(14)8-4-7(5-12)9(11)13-6(8)2/h4H,3H2,1-2H3

InChI Key:QXZBVLFURRXJLB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 90-92 °C Solv: methanol (67-56-1) (3)IC
Melting Point 65-66 °C   (4)CAS
Melting Point 62-64 °C   (1)CAS

Specification

98%
References
  1. (1) da Silva, Daniel; Synthesis 2010, (16), P2725-2730 CAPLUS
  2. (3) Sunthankar, S. V.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1977, V15B(2), P187-8 CAPLUS
  3. (4) Govindachari, T. R.; Journal of the Chemical Society 1957, P3839-44 CAPLUS
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