510254

Ethyl 3,3,3-trifluoropyruvate

97%

• Linear Formula: CF₃COCO₂C₂H₅
• CAS Number: 13081-18-0
• Molecular Weight: 170.09
• Beilstein/REAXYS Number: 2087388
• MDL number: MFCD00114935
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873486
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.341 (lit.); n/D (lit.)
• density: 1.283 g/mL at 25 °C (lit.)
• functional group: ester; fluoro; ketone
• SMILES string: CCOC(=O)C(=O)C(F)(F)F
• InChI: 1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3
• InChI key: KJHQVUNUOIEYSV-UHFFFAOYSA-N

Description

General description

Ethyl 3,3,3-trifluoropyruvate is a trifluoromethylated compound. Enantioselective Friedel–Crafts alkylation of simple phenols and indoles with ethyl 3,3,3-trifluoropyruvate under different reaction conditions have been reported.

Application

Ethyl 3,3,3-trifluoropyruvate may be used in the preparation of N-heteroaryl(trifluoromethyl)hydroxyalkanoic acid esters.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302,H315,H319,H335
• pcodes: P210 - P233 - P240 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 87.8 °F - closed cup
• flash_point_c: 31 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves