CAS Registry Number: 1333222-14-2

Name:

2-​Pyrimidinecarboxalde​hyde, 4-​(trifluoromethyl)​-
4-​(Trifluoromethyl)​pyrimidine-​2-​carboxaldehyde 

Chemical Formula: C6H3F3N2O
Exact Mass: 176.02
Molecular Weight: 176.10
m/z: 176.02 (100.0%), 177.02 (7.3%)
Elemental Analysis: C, 40.92; H, 1.72; F, 32.37; N, 15.91; O, 9.09

InChI: InChI=1S/C6H3F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-3H
InChIKey: HXJFWTMHUWQNEO-UHFFFAOYSA-N
Canonical SMILES : C1=CN=C(N=C1C(F)(F)F)C=O

Specification

98%

PCT Int. Appl. (2013), WO 2013142269 A1 20130926.