188344

3-(Trifluoromethyl)benzoic acid

99%

• Synonym(s): α,α,α-Trifluoro-m-toluic acid, 3-Carboxybenzotrifluoride
• Linear Formula: CF₃C₆H₄CO₂H
• CAS Number: 454-92-2
• Molecular Weight: 190.12
• Beilstein: 2049239
• EC Number: 207-230-2
• MDL number: MFCD00002519
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851315
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: solid
• bp: 238.5 °C/775 mmHg (lit.)
• mp: 104-106 °C (lit.)
• functional group: carboxylic acid; fluoro
• SMILES string: OC(=O)c1cccc(c1)C(F)(F)F
• 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

Description

General description

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.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves