235970

1,1,1-Trifluoro-2,4-pentanedione

98%

• Synonym(s): α,α,α-Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone
• Linear Formula: CH₃COCH₂COCF₃
• CAS Number: 367-57-7
• Molecular Weight: 154.09
• Beilstein: 1705177
• EC Number: 206-698-5
• MDL number: MFCD00000427
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854129
• NACRES: NA.22

Properties

• Assay: 98%
• form: liquid
• refractive index: n20/D 1.388 (lit.)
• bp: 105-107 °C (lit.)
• density: 1.27 g/mL at 25 °C (lit.)
• functional group: fluoro; ketone
• storage temp.: 2-8°C
• SMILES string: CC(=O)CC(=O)C(F)(F)F
• InChI: 1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
• InChI key: SHXHPUAKLCCLDV-UHFFFAOYSA-N

Description

General description

1,1,1-Trifluoro-2,4-pentanedione is known as trifluoro-acetylacetone (TFAA). Molecular structure of 1,1,1-trifluoro-pentane-2,4-dione has been investigated by Density Functional Theory (DFT) calculations.

May darken in storage

Application

1,1,1-Trifluoro-2,4-pentanedione has been used as reagent in the preparation of 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302 + H312 + H332
• Precautionary Statements: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 78.8 °F - closed cup
• Flash Point(C): 26 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves