| Identification | More | [Name]
1,1,1-Trifluoro-2,4-pentanedione | [CAS]
367-57-7 | [Synonyms]
1,1,1-TRIFLUORO-2,4-PENTANEDIONE
1,1,1-TRIFLUOROACETYLACETONE
ACETYL TRIFLUOROACETONE
AKOS MSC-0319
ALPHA,ALPHA,ALPHA-TRIFLUOROACETYLACETONE
TRIFLUOROACETYLACETONE
1,1,1-Trifluoro-2,4-pentadione
1,1,1-trifluoro-4-pentanedione
4-Pentanedione,1,1,1-trifluoro-2
CF3COH=CHCOCH3
1,1,1-Trifluoropentane-2,4-dione
Tfpd-H
1,1,1-Trifluoroacetylacetone,min.98%
2,4-Pentanedione, 1,1,1-trifluoro-
1,1,1-Trifluoroacetylacetone 99%
1,1,1-Trifluoroacetylacetone99%
1,1,1-TRIFLUOROACETOACETONE
1,1,1-TRIFLUORO-2,4-PENTANEDIONE TRIFLUOROACETYLACETONE
1,1,1-TRIFLUORO-2,4-PENTANEDIONE 99%
α,α,α-Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone | [EINECS(EC#)]
206-698-5 | [Molecular Formula]
C5H5F3O2 | [MDL Number]
MFCD00000427 | [Molecular Weight]
154.09 | [MOL File]
367-57-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear light yellow to orange liquid | [Boiling point ]
105-107 °C (lit.) | [density ]
1.27 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.388(lit.)
| [Fp ]
79 °F
| [storage temp. ]
Flammables area | [form ]
Liquid | [pka]
6.69±0.10(Predicted) | [color ]
deep brownish-yellow
| [Specific Gravity]
1.270 | [Water Solubility ]
slightly soluble | [BRN ]
1705177 | [InChI]
InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3 | [InChIKey]
SHXHPUAKLCCLDV-UHFFFAOYSA-N | [SMILES]
C(F)(F)(F)C(=O)CC(=O)C | [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]
367-57-7(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
method for synthesizing 1,1,1-trifluoro-2,4-pentanedione is disclosed, which involves the Claisen condensation reaction using ethyl trifluoroacetate and acetone as raw materials. Experiments show that the optimal conditions for synthesizing 1,1,1-trifluoro-2,4-pentanedione are: using an ethanolic solution of sodium ethoxide as a catalyst, anhydrous diethyl ether as a solvent, and reacting at 30°C for 2 h, achieving a yield of 33%. The structure of 1,1,1-trifluoro-2,4-pentanedione was confirmed by elemental analysis, infrared spectroscopy, and proton nuclear magnetic resonance spectroscopy. The synthetic reaction formula is shown in the figure below:  Figure 1,1,1-Trifluoro-2,4-pentanedione synthetic reaction formula |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H302+H312+H332 | [Precautionary statements ]
P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xn,F,Xi | [Risk Statements ]
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Flammable/Irritant | [TSCA ]
T | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29147090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear light yellow to orange liquid | [Uses]
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. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)MS
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)1HNMR
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)13CNMR
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)IR1
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)Raman
1,1,1-Trifluoro-2,4-pentanedione(367-57-7)ESR
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|