CAS Registry Number: 115029-23-7

Name:

Benzoic acid, 2-​fluoro-​5-​(trifluoromethyl)​-
2-​Fluoro-​5-​(trifluoromethyl)​benzoic acid 

Chemical Formula: C8H4F4O2
Exact Mass: 208.01
Molecular Weight: 208.11
m/z: 208.01 (100.0%), 209.02 (8.8%)
Elemental Analysis: C, 46.17; H, 1.94; F, 36.52; O, 15.38

InChI: InChI=1S/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey: LIFKXWNFWIUMJT-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(F)(F)F)C(=O)O)F

Specification

98%

1. (1) Tidswell, Robert John Ernest; GB 2191192 A 1987 CAPLUS
2. (2) Cale, Albert D., Jr.; US 4705853 A 1987 CAPLUS