CAS Registry Number: 175137-27-6

Name:

5-​Pyrimidinecarboxylic acid, 2-​chloro-​4-​(trifluoromethyl)​-​, methyl ester
2-​Chloro-​5-​methoxycarbonyl-​4-​trifluoromethylpyrim​idine; Methyl 2-​chloro-​4-​(trifluoromethyl)​pyrimidine-​5-​carboxylate 

Chemical Formula: C7H4ClF3N2O2
Exact Mass: 239.99
Molecular Weight: 240.57
m/z: 239.99 (100.0%), 241.99 (32.0%), 240.99 (8.3%), 242.99 (2.7%)
Elemental Analysis: C, 34.95; H, 1.68; Cl, 14.74; F, 23.69; N, 11.64; O, 13.30

InChI: InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3
InChIKey: VLUBJYUOPNGBOQ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl

Specification

98%

PCT Int. Appl. (2013), WO 2013138568 A1 20130919.                                  

PCT Int. Appl. (2012), WO 2012145581 A1 20121026.