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
[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)

Safety Data	Back Directory
[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

Raw materials And Preparation Products

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[Preparation Products]

4-METHYL-6-TRIFLUOROMETHYL-PYRIMIDINE-2-THIOL-->5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID-->3-METHYL-5-(TRIFLUOROMETHYL)PYRAZOLE-->6-METHYL-2-OXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE-->6-METHYL-4-(TRIFLUOROMETHYL)-2(1H)-PYRIDONE-->2-Chloro-6-methyl-4-(trifluoromethyl)pyridine-->Thiazole, 4-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]--->3-CHLORO-1,1,1-TRIFLUORO-PENTANE-2,4-DIONE-->2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1,1,1-Trifluoropentane-2,4-dione(367-57-7).msds

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

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 1,1,1-Trifluoro-2,4-pentanedione, 98%(367-57-7)
[Alfa Aesar] 1,1,1-Trifluoro-2,4-pentanedione, 98%(367-57-7)
[Sigma Aldrich] 367-57-7(sigmaaldrich)
[TCI AMERICA] Trifluoroacetylacetone,>98.0%(GC)(367-57-7)

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