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About This Item
Linear Formula:
CH3COCH2COCF3
CAS Number:
Molecular Weight:
154.09
Beilstein:
1705177
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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