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CAS Number: 3998-88-7
ethyl 2-chloro-6-methylisonicotinate

Structure

ethyl 2-chloro-6-methylisonicotinate
Name: ethyl 2-chloro-6-methylisonicotinate
Synonyms:
General Information
Product Number: 3998887
CAS Registry Number: 3998-88-7
Name:
        4-​Pyridinecarboxylic acid, 2-​chloro-​6-​methyl-​, ethyl ester
        Isonicotinic acid, 2-​chloro-​6-​methyl-​, ethyl ester (7CI,​8CI); 2-​Chloro-​6-​methylisonicotinic acid ethyl ester 
 
Chemical Formula: C9H10ClNO2
Exact Mass: 199.04
Molecular Weight: 199.63
m/z: 199.04 (100.0%), 201.04 (32.4%), 200.04 (10.2%), 202.04 (3.2%)
Elemental Analysis: C, 54.15; H, 5.05; Cl, 17.76; N, 7.02; O, 16.03
 
InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
InChIKey: UMAAIDIASQFLTF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=NC(=C1)Cl)C
 
Thermal Properties Value Condition Note
Boiling Point 107 °C Press: 1.5 Torr (1)CAS
Boiling Point 107 °C Press: 1.5 Torr (2)CAS
Melting Point 64 °C   (1)CAS
Melting Point 64 °C   (2)CAS
 

Specification

98%

References
  1. (1) Cuiban, Flavian; FR 1362967 1964 CAPLUS
  2. (2) Cuiban, Flavian; GB 1003480 1965 CAPLUS
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