2,4,5-Trifluorophenylacetic Acid , 98% , 209995-38-0

CAS NO.：209995-38-0

Empirical Formula: C8H5F3O2

Molecular Weight: 190.12

MDL number: MFCD00082479

EINECS: 466-070-3

PRODUCT Properties

• Melting point: 121-125 °C
• Boiling point: 255.0±35.0 °C(Predicted)
• Density: 1.468±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 3.78±0.10(Predicted)
• color: White to Off-White
• InChI: InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
• InChIKey: YSQLGGQUQDTBSL-UHFFFAOYSA-N
• SMILES: C1(CC(O)=O)=CC(F)=C(F)C=C1F
• CAS DataBase Reference: 209995-38-0(CAS DataBase Reference)

Description and Uses

2,4,5-Trifluorophenylacetic acid is a fluorophenylacetic acid, which is a valuable intermediate for preparing various pharmacologically active compounds. In particular, trifluorophenylacetic acids are used to prepare inhibitors of the dipeptidyl peptidase-4 enzyme. These medicines are helpful in treating diabetes, in particular type 2 diabetes. One of these active ingredients is Sitagliptin, available commercially under the brand name Januvia, which uses 2,4,5-trifluorophenylacetic acid as a critical intermediate for its synthesis.

2,4,5-Trifluorobenzeneacetic Acid is used in the synthesis of EGFR/ErbB-2-kinase inhibitors. Also used in the synthesis of new imidazopyrazinone derivatives as potnetial dipeptidyl peptidase IV inhibitors.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H315-H318-H335
• Precautionary statements: P280-P302+P352-P305+P351+P338+P310
• Hazard Codes: Xi
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29163990