4-(Trifluoromethyl)benzoic acid , 98% , 455-24-3

Synonym(s):
α,α,α-Trifluoro-p-toluic acid;4-Carboxybenzotrifluoride

CAS NO.：455-24-3

Empirical Formula: C8H5F3O2

Molecular Weight: 190.12

MDL number: MFCD00002562

EINECS: 207-242-8

PRODUCT Properties

• Melting point: 219-220 °C(lit.)
• Boiling point: 247°C 753mm
• Density: 1.3173 (estimate)
• Flash point: 247°C/753mm
• storage temp.: Sealed in dry,Room Temperature
• pka: 3.69±0.10(Predicted)
• form: Fine Crystalline Powder
• color: White to slight gray
• Water Solubility: Soluble in water.
• BRN: 2049241
• InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
• InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=C(C(F)(F)F)C=C1
• CAS DataBase Reference: 455-24-3(CAS DataBase Reference)
• NIST Chemistry Reference: «ALPHA»,«alpha»,«alpha»-trifluoro-p-toluic acid(455-24-3)
• EPA Substance Registry System: Benzoic acid, 4-(trifluoromethyl)- (455-24-3)

Description and Uses

4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates via?N,N?-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37-24/25
• WGK Germany: 3
• TSCA: T
• HazardClass: IRRITANT
• HS Code: 29163900