1,1,1-Trifluoro-2,4-pentanedione
Synonym(s):α,α,α-Trifluoroacetylacetone;1,1,1-Trifluoroacetylacetone
- CAS NO.：367-57-7
- Empirical Formula: C5H5F3O2
- Molecular Weight: 154.09
- MDL number: MFCD00000427
- EINECS: 206-698-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-08 21:00:42
What is 1,1,1-Trifluoro-2,4-pentanedione?
Chemical properties
Clear light yellow to orange liquid
The Uses of 1,1,1-Trifluoro-2,4-pentanedione
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.
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.
Properties of 1,1,1-Trifluoro-2,4-pentanedione
| Boiling point: | 105-107 °C (lit.) |
| Density | 1.27 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 79 °F |
| storage temp. | 2-8°C |
| form | Liquid |
| pka | 6.69±0.10(Predicted) |
| Specific Gravity | 1.270 |
| color | deep brownish-yellow |
| Water Solubility | slightly soluble |
| BRN | 1705177 |
| CAS DataBase Reference | 367-57-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,4-Pentanedione, 1,1,1-trifluoro-(367-57-7) |
| EPA Substance Registry System | 2,4-Pentanedione, 1,1,1-trifluoro- (367-57-7) |
Safety information for 1,1,1-Trifluoro-2,4-pentanedione
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 1,1,1-Trifluoro-2,4-pentanedione
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product: 367-57-7 1,1,1-TRIFLUOROACETYLACETONE
1,1,1-Trifluoro-2,4-pentanedione α,α,α-Trifluoroacetylacetone 98%
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