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CAS Number: 3998-90-1
methyl 2-chloro-6-methylisonicotinate

Structure

methyl 2-chloro-6-methylisonicotinate
Name: methyl 2-chloro-6-methylisonicotinate
Synonyms:
General Information
Product Number: 3998901
CAS Registry Number: 3998-90-1
Name:
4-​Pyridinecarboxylic acid, 2-​chloro-​6-​methyl-​, methyl ester
Isonicotinic acid, 2-​chloro-​6-​methyl-​, methyl ester (6CI,​7CI,​8CI); 2-​Chloro-​6-​methylpyridine-​4-​carboxylic acid methyl ester; Methyl 2-​chloro-​6-​methylisonicotinate; Methyl 2-​chloro-​6-​methylpyridine-​4-​carboxylate 
 
Chemical Formula: C8H8ClNO2
Exact Mass: 185.02
Molecular Weight: 185.61
m/z: 185.02 (100.0%), 187.02 (32.0%), 186.03 (8.8%), 188.02 (2.9%)
Elemental Analysis: C, 51.77; H, 4.34; Cl, 19.10; N, 7.55; O, 17.24
 
InChI: InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKey: BDWMGYZSQKGUFA-UHFFFAOYSA-N
Canonical SMILES : CC1=NC(=CC(=C1)C(=O)OC)Cl
 
Thermal Properties Value Condition Note
Boiling Point 98 °C Press: 1.5 Torr (1)CAS
Boiling Point 98 °C Press: 1.5 Torr (2)CAS
Melting Point 61 °C   (3)CAS
Melting Point 60 °C   (4)CAS
Melting Point 58 °C   (1)CAS
Melting Point 58 °C   (2)CAS

Specification

98%

References
  1. (1) Cuiban, Flavian; FR 1362967 1964 CAPLUS
  2. (2) Cuiban, Flavian; GB 1003480 1965 CAPLUS
  3. (3) Havas, Fabien; Tetrahedron 2009, V65(36), P7673-7686 CAPLUS
  4. (4) Isler, Otto; CH 316548 1956 CAPLUS
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