3,5-Bis(trifluoromethyl)benzoic Acid , 98% , 725-89-3

CAS NO.：725-89-3

Empirical Formula: C9H4F6O2

Molecular Weight: 258.12

MDL number: MFCD00000388

EINECS: 211-970-1

PRODUCT Properties

• Melting point: 142-143 °C(lit.)
• Boiling point: 223.9±40.0 °C(Predicted)
• Density: 1,42 g/cm³
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO, Methanol
• form: Solid
• pka: 3.34±0.10(Predicted)
• color: White to Off-White
• Water Solubility: Slightly soluble in water.
• BRN: 2058600
• InChI: 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)
• InChIKey: HVFQJWGYVXKLTE-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
• CAS DataBase Reference: 725-89-3(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)

Description and Uses

3,5-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 3,5-Bis(trifluoromethyl)benzoic acid has also been identified as a major metabolite of a series of 3,5-bis(trifluoromethyl)benzyl ethers in vitro, and is hypothesized to result via oxidation of the benzylic position.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• RTECS: DG4448020
• HazardClass: IRRITANT
• HS Code: 29163990