HEXAFLUOROACETYLACETONE CAS NO.1522-22-1

Product Name:    HEXAFLUOROACETYLACETONE
Synonyms:    1,1,1,5,5,5-hexafluoro-4-pentanedione;1,1,1,5,5,5-hexafluoro-pentan-2,4-dione;1,3-Bis(trifluoromethyl)propane-1,3-dione;Hexafluoro-2,4-pentanedione;1,1,1,5,5,5-Hexafluoroacetylacetone, 99% 25GR;1,1,1,5,5,5-Hexafluoroacetylacetone, 99% 5GR;1,1,1,5,5,5-HEXAFLUOROACETYLACETONE FOR;1,1,1,5,5,5-Hexafluoropentane-2,4-dione, 1,1,1-Trifluoro-3-(trifluoroacetyl)acetone, 2,4-Dioxo-1,1,1,5,5,5-hexafluoropentane, HFAA
CAS:    1522-22-1
MF:    C5H2F6O2
MW:    208.06
EINECS:    216-191-0
Mol File:    1522-22-1.mol

Boiling point     70-71 °C (lit.)
density     1.47 g/mL at 25 °C (lit.)
refractive index     n20/D 1.332(lit.)
Fp     32 °C
storage temp.     Inert atmosphere,Room Temperature
pka    4.30±0.10(Predicted)
form     Liquid
color     Clear colorless to slightly yellow
Specific Gravity    1.470
Water Solubility     Not miscible in water.
Sensitive     Hygroscopic
BRN     1790138
InChIKey    QAMFBRUWYYMMGJ-UHFFFAOYSA-N
CAS DataBase Reference    1522-22-1(CAS DataBase Reference)
EPA Substance Registry System    2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro- (1522-22-1)
Safety Information
Hazard Codes     C,F,Xi
Risk Statements     10-20/21/22-34
Safety Statements     26-36/37/39-45
RIDADR     UN 2920 8/PG 2
WGK Germany     3
F     3
Hazard Note     Flammable/Corrosive
TSCA     T
HazardClass     8
PackingGroup     II
HS Code     29147000
MSDS Information
Provider    Language
SigmaAldrich    English
ACROS    English
ALFA    English
HEXAFLUOROACETYLACETONE Usage And Synthesis
Description    HEXAFLUOROACETYLACETONE acts as a chelating ligand. For example, it can forms metal-chelate complexes with Ca(II), Zn (II), Cu(II), Ni(II), Co(II), Nd(III), Rh(III), Fe(III) and Cr(III), making it be useful in extracting related metal ions. It can also be used as liquid crystal intermediate.
References    Chattoraj, S. C., A. G. C. Jr, and R. E. Sievers. "Cadmium and zinc chelates of hexafluoroacetylacetone the gas phase reaction of a novel volatile cadmium complex with hydrogen sulphide." Journal of Inorganic & Nuclear Chemistry 28.9(1966):1937-1943.
Tomazic, Branko B., and J. W. O'Laughlin. "Synergic extraction of iron with hexafluoroacetylacetone and tributyl phosphate." Analytical Chemistry 45.8(2002):1519-1526.
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Chemical Properties    clear colorless to slightly yellow liquid
Purification Methods    It forms a dihydrate which has no UV spectrum compared with max (CHCl3) 273nm ( 7,800) for the anhydrous ketone. The dihydrate decomposes at ~90o. The hydrate (10g) plus anhydous CaSO4 (Drierite, 30g) are heated and distilled, the distillate is treated with more CaSO4 and redistilled. When the distillate is treated with aqueous NaOH and heated, the dihydrate crystallises on cooling. The Cu complex has m 135o (after sublimation). [Gilman et al. J Am Chem Soc 78 2790 1956, Belford et al. J Inorg Nucl Chem 2 11 1956, Beilstein 1 IV 3681.]
HEXAFLUOROACETYLACETONE Preparation Products And Raw materials
Raw materials    Ethanol-->Methanol-->Diethyl ether-->Sulfuric acid-->Tetrahydrofuran-->Sodium-->N,N-Dimethylformamide-->Toluene-->Magnesium-->Sodium methanolate-->tert-Butyl methyl ether-->Di-n-butyl ether-->Ethyl trifluoroacetate-->1,1,1-Trifluoroacetone-->1,1,1,5,5,5-HEXAFLUORO-2,2,4,4-PENTANE-T ETROL, 97-->3,3,3-TRIFLUOROPROPYNE
Preparation Products    2,2,2-TRIFLUORO-1-(3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)ETHANONE-->5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-->1-(1-TERT-BUTYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)-2,2,2-TRIFLUOROETHANONE-->4-Butoxy-1,1,1-trofluoro-3-buten-2-one