3-(Trifluoromethyl)benzoic acid

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.

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Catalog Number CBB1116616
Alternative Name(s) α,α,α-Trifluoro-m-toluic acid; 3-Carboxybenzotrifluoride
Molecular Formula CF3C6H4CO2H
CAS# 454-92-2
Purity >99%
Inchi 1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
Inchi Key FQXQBFUUVCDIRK-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(c1)C(F)(F)F
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