232882

3,5-Bis(trifluoromethyl)benzoic acid

98%

• Synonym(s): 3,5-Di(trifluoromethyl)benzoic acid
• Linear Formula: (CF₃)₂C₆H₃CO₂H
• CAS Number: 725-89-3
• Molecular Weight: 258.12
• Beilstein/REAXYS Number: 2058600
• EC Number: 211-970-1
• MDL number: MFCD00000388
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853936
• NACRES: NA.22

Properties

• assay: 98%
• form: solid
• mp: 142-143 °C (lit.)
• functional group: carboxylic acid
• SMILES string: OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: 1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
• InChI key: HVFQJWGYVXKLTE-UHFFFAOYSA-N

Description

General description

3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: 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: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves