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1522-22-1

1522-22-1 Structure

1522-22-1 Structure
IdentificationMore
[Name]

HEXAFLUOROACETYLACETONE
[CAS]

1522-22-1
[Synonyms]

1,1,1,5,5,5-HEXAFLUORO-2,4-PENTADIONE
1,1,1,5,5,5-HEXAFLUORO-2,4-PENTANEDIONE
1,1,1,5,5,5-HEXAFLUOROACETYLACETONATE
1,1,1,5,5,5-HEXAFLUOROACETYLACETONE
1,1,1,5,5,5-HEXAFLUOROPENTANE-2,4-DIONE
1,1,1,5,5-HEXAFLUORO-2,4-PENTANDIONE
1,1,5,5,5-HEXAFLUORO-2,4-PENTADIONE
HEXAFLUOROACETYLACETONE
HFAC
HFACAC
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-Hexafluoropentane-2,4-dione [HFAA]
Hexafluoroacetylacetone,min.98%HFAA
2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-
1,1,1,5,5,5-Hexafluoroacetylacetone 99%
1,1,1,5,5,5-Hexafluoroacetylacetone99%
HEXAFLUOROACETYLACETONE HFAC
[EINECS(EC#)]

216-191-0
[Molecular Formula]

C5H2F6O2
[MDL Number]

MFCD00000426
[Molecular Weight]

208.06
[MOL File]

1522-22-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[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. ]

Flammables area
[form ]

Liquid
[pka]

4.30±0.10(Predicted)
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.470
[Water Solubility ]

Not miscible in water.
[Sensitive ]

Hygroscopic
[Detection Methods]

GC
[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 DataBack Directory
[Hazard Codes ]

C,F,Xi
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2920 8/PG 2
[WGK Germany ]

3
[F ]

3
[Hazard Note ]

Flammable/Corrosive
[TSCA ]

T
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29147000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Diethyl ether-->Sulfuric acid-->Tetrahydrofuran-->Sodium-->N,N-Dimethylformamide-->Toluene-->Magnesium-->Sodium Methoxide-->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-->1H-Benzimidazole,5-methyl-2-(trifluoromethyl)-(9CI)
Questions And AnswerBack Directory
[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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Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

1,1,1,5,5,5-Hexafluoro-2,4-pentanedione acts as a chelating ligand. It is used as liquid crystal intermediate.
[General Description]

Hexafluoroacetylacetone forms metal-chelate complexes with Cu(II), Ni(II), Co(II), Nd(III), Rh(III), Fe(III) and Cr(III). Hexafluoroacetylacetone on hydration yields 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

HEXAFLUOROACETYLACETONE(1522-22-1)MS
HEXAFLUOROACETYLACETONE(1522-22-1)1HNMR
HEXAFLUOROACETYLACETONE(1522-22-1)13CNMR
HEXAFLUOROACETYLACETONE(1522-22-1)IR1
HEXAFLUOROACETYLACETONE(1522-22-1)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,1,1,5,5,5-Hexafluoroacetylacetone, 96%(1522-22-1)
[Alfa Aesar]

1,1,1,5,5,5-Hexafluoro-2,4-pentanedione, 98+%(1522-22-1)
[Sigma Aldrich]

1522-22-1(sigmaaldrich)
[TCI AMERICA]

Hexafluoroacetylacetone,>95.0%(GC)(1522-22-1)
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