3-(Trifluoromethyl)benzoic acid , 98% , 454-92-2

Synonym(s):
α,α,α-Trifluoro-m-toluic acid;3-Carboxybenzotrifluoride

CAS NO.：454-92-2

Empirical Formula: C8H5F3O2

Molecular Weight: 190.12

MDL number: MFCD00002519

EINECS: 207-230-2

PRODUCT Properties

• Melting point: 104-106 °C(lit.)
• Boiling point: 238.5 °C775 mm Hg(lit.)
• Density: 1.3173 (estimate)
• Flash point: 237-240°C
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• pka: 3.77±0.10(Predicted)
• form: powder to crystal
• color: White
• BRN: 2049239
• InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
• InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=CC(C(F)(F)F)=C1
• CAS DataBase Reference: 454-92-2(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethyl)benzoic acid(454-92-2)
• EPA Substance Registry System: Benzoic acid, 3-(trifluoromethyl)- (454-92-2)

Description and Uses

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

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-24/25
• WGK Germany: 3
• TSCA: TSCA listed
• HazardClass: IRRITANT
• HS Code: 29163900
• Storage Class: 11 - Combustible Solids