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CAS Number: 120985-64-0
4-methyl-2-(trifluoromethyl)benzoic acid

Structure

4-methyl-2-(trifluoromethyl)benzoic acid
Name: 4-methyl-2-(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 120985640
CAS Registry Number: 120985-64-0
Name:
Benzoic acid, 4-​methyl-​2-​(trifluoromethyl)​-
4-​Methyl-​2-​trifluoromethylbenzo​ic acid 
 
Chemical Formula: C9H7F3O2
Exact Mass: 204.04
Molecular Weight: 204.15
m/z: 204.04 (100.0%), 205.04 (9.8%)
Elemental Analysis: C, 52.95; H, 3.46; F, 27.92; O, 15.67
 
InChI: InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey: PHJOGJTZXVBKJO-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(C=C1)C(=O)O)C(F)(F)F
 
Thermal Properties Value Condition Note
Melting Point 140-141 °C Solv: hexane (110-54-3) (1)IC

Specification

98%

References
  1. (1) Kuwabara, Masaki; Journal of Fluorine Chemistry 1989, V42(1), P105-18 CAPLUS
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