CAS Registry Number: 261635-79-4

Name:

3-​Pyridinecarboxylic acid, 6-​chloro-​4-​(trifluoromethyl)​-​, methyl ester
6-​Chloro-​4-​(trifluoromethyl)​nicotinic acid methyl ester; Methyl 6-​chloro-​4-​(trifluoromethyl)​-​3-​pyridinecarboxylate; Methyl 6-​chloro-​4-​(trifluoromethyl)​nicotinate 

Chemical Formula: C8H5ClF3NO2
Exact Mass: 239.00
Molecular Weight: 239.58
m/z: 239.00 (100.0%), 240.99 (32.0%), 240.00 (8.8%), 242.00 (2.8%)
Elemental Analysis: C, 40.11; H, 2.10; Cl, 14.80; F, 23.79; N, 5.85; O, 13.36

InChI: InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-3-13-6(9)2-5(4)8(10,11)12/h2-3H,1H3
InChIKey: CFJDLJIDLYBQQY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(C=C1C(F)(F)F)Cl

Specification

98%

PCT Int. Appl. (2012), WO 2012087519 A1 20120628.        

PCT Int. Appl. (2012), WO 2012058187 A1 20120503.