196886

2-(Trifluoromethyl)benzoic acid

98%

• Synonym(s): α,α,α-Trifluoro-o-toluic acid, 2-Carboxybenzotrifluoride
• Linear Formula: CF₃C₆H₄CO₂H
• CAS Number: 433-97-6
• Molecular Weight: 190.12
• Beilstein: 976984
• EC Number: 207-093-9
• MDL number: MFCD00002476
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851804
• NACRES: NA.22

Properties

• Assay: 98%
• form: solid
• bp: 247 °C/753 mmHg (lit.)
• mp: 107-110 °C (lit.)
• functional group: carboxylic acid; fluoro
• SMILES string: OC(=O)c1ccccc1C(F)(F)F
• InChI: 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
• InChI key: FBRJYBGLCHWYOE-UHFFFAOYSA-N

Description

Application

2-(Trifluoromethyl)benzoic acid was used in the synthesis of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety. It was also used to investigate the binding of 2-pyridinone and amino acid derivative as ligands with chaperones PapD and FimC by surface plasmon resonance and ¹HNMR spectroscopy.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• 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