CAS Registry Number: 886502-61-0

Name:

Benzonitrile, 5-​methyl-​2-​(trifluoromethyl)​-
5-​Methyl-​2-​(trifluoromethyl)​benzonitrile 

Chemical Formula: C9H6F3N
Exact Mass: 185.05
Molecular Weight: 185.15
m/z: 185.05 (100.0%), 186.05 (9.8%)
Elemental Analysis: C, 58.38; H, 3.27; F, 30.78; N, 7.57

InChI: InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4H,1H3
InChIKey: WLMSAHJSXOSVNE-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(C=C1)C(F)(F)F)C#N

Specification

98%

PCT Int. Appl. (2013), WO 2013024895 A1 20130221.