1,1,1,5,5,5-Hexafluoropentane-2,4-dione supplier

Name
HEXAFLUOROACETYLACETONE
EINECS 216-191-0
CAS No. 1522-22-1
Article Data13
CAS DataBase
Density 1.506 g/cm³
Solubility Not miscible in water.
Melting Point
Formula C₅H₂F₆O₂
Boiling Point 70 °C at 760 mmHg
Molecular Weight 208.06
Flash Point 30.8 °C
Transport Information UN 2920 8/PG 2
Appearance clear colorless to slightly yellow liquid
Safety 26-36/37/39-45
Risk Codes 10-20/21/22-34
Molecular Structure
Hazard Symbols C, F, Xi
Synonyms 1,1,1,5,5,5-Hexafluoro-2,4-pentandione;1,1,1,5,5,5-Hexafluoro-2,4-pentanedione;1,1,1,5,5,5-Hexafluoroacetylacetone;1,3-Bis(trifluoromethyl)propane-1,3-dione;Hexafluoro-2,4-pentanedione;Hexafluoroacetylacetone;
PSA 34.14000
LogP 1.63930

Synthetic route

: 1,1,1,5,5,5-hexafluoro-3-pentyn-2-one trimethylsilylethyl ketal

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
With sulfuric acid In tetrahydrofuran; water at 40 - 50℃; for 7.5h;	93%

: 69962-11-4
1,1,1,5,5,5-hexafluoro-3-trifluoromethyl-pentane-2,4-dione

A: 400-49-7
trifluoromethyl 2,2,2-trifluororethyl ketone

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

C: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water 1.) 20 deg C, 7 d, 2.) 100 - 110 deg C, 70 h; Title compound not separated from byproducts;

...Expand

: 69962-11-4
1,1,1,5,5,5-hexafluoro-3-trifluoromethyl-pentane-2,4-dione

A: 400-49-7
trifluoromethyl 2,2,2-trifluororethyl ketone

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

C: trifluoroperacetic acid

D: 1,1-bis(trifluoroacetyl)-2,2,2-trifluoroethane monohydrate

E: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water at 20℃; for 168h; Product distribution; other temp., other time;

...Expand

: 72721-52-9
1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione

A: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

B: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water Title compound not separated from byproducts;

: 72721-52-9
1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione

A: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

B: 1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione enol tautomer

C: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With sulfuric acid; phosphorus pentoxide at 20℃; Product distribution; effect of temp. on keto-enol equilibrium;

...Expand

: 428-75-1
bis(gem-diol) 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
With sulfuric acid In toluene at 80℃;
With sulfuric acid In tert-butyl methyl ether; toluene at 20℃; for 5h;
With sulfuric acid In tetrahydrofuran; toluene at 20℃; for 5h;

: 421-50-1
1,1,1-trifluoro-2-propanone

: 383-63-1
ethyl trifluoroacetate,

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: (hexafluoroacetylacetonato)(1,5-cyclooctadiene)rhodium(I)

: 326-06-7
1-Phenyl-4,4,4-trifluorobutane-1,3-dione

A: (trifluorobenzoylacetonato)(1,5-cyclooctadiene)rhodium(I)

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
In Petroleum ether Kinetics; React. in the temp. range from 14.8-24.8°C (10-fold excess TFBA).; Monitoring by UV.;

...Expand

: 661-54-1
3,3,3-trifluoroprop-1-yne

: 383-63-1
ethyl trifluoroacetate,

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
Stage #1: 3,3,3-trifluoroprop-1-yne With n-butyllithium In n-heptane; tert-butyl methyl ether at -103 - -28℃; Inert atmosphere; Large scale; Stage #2: ethyl trifluoroacetate, In n-heptane; tert-butyl methyl ether at -38 - -30℃; for 2h; Inert atmosphere; Large scale; Further stages;	2.6 kg
Stage #1: 3,3,3-trifluoroprop-1-yne With n-butyllithium In tetrahydrofuran; hexane at -30℃; for 0.25h; Inert atmosphere; Stage #2: ethyl trifluoroacetate, In tetrahydrofuran; hexane at -30℃; for 2h; Inert atmosphere; Stage #3: With sulfuric acid In tetrahydrofuran at 10℃; for 3.58h;	2.7 g

: ferric hydroxide

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: Fe(hexafluoropentanedionate)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated at 50°C with HHFA, flow rate 0.5-2l/h, temp. rise 4°C/min, duration 50min; sublimation;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: einsteinium thenoyltrifluoroacetonate

: (253)Es(3+)*3CF3COCHCOCF3(1-)=(253)Es(CF3COCHCOCF3)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 45°C, flow rate 0.5-2.0l/h, temp. rise 4°C/min, duration 40min; sublimation;	100%
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 45°C, flow rate 0.5-2.0l/h, reaction at 200°C for 60min; sublimation;	96.5%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: berkelium(IV)thenoyltrifluoroacetonate

: (249)Bk(4+)*4CF3COCHCOCF3(1-)=(249)Bk(CF3COCHCOCF3)4

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 40°C, flow rate 0.5-2.0l/h, temp. rise 4°C/min, duration 55min; sublimation;	100%

: (51)Cr(OH)3

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: (51)Cr(3+)*3CF3COCHCOCF3(1-)=(51)Cr(CF3COCHCOCF3)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated at 50°C with HHFA, flow rate 0.5-2l/h, temp. rise 4°C/min, duration 30min; sublimation;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 80509-86-0
7-butyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

: 1315481-07-2
C5H2F6O2*C11H21N3

Conditions

Conditions	Yield
Cooling with ice;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 1,3,4,6,7,8-hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine

: 1315481-05-0
C5H2F6O2*C8H15N3

Conditions

Conditions	Yield
Cooling with ice;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 161118-67-8
tert-butylimino-tri(pyrrolidino)phosphorane

: 1315481-21-0
C5H2F6O2*C16H33N4P

Conditions

Conditions	Yield
Cooling with ice;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 165535-45-5
1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene)

: 1315481-17-4
C5H2F6O2*C12H35N7P2

Conditions

Conditions	Yield
Cooling with ice;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 674334-34-0
N-(1,3-dimethylimidazolidin-2-ylidene)butan-1-amine

: 1315481-12-9
C5H2F6O2*C9H19N3

Conditions

Conditions	Yield
Cooling with ice;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: Fc-C6H4-CH=CH-Ru(CO)(PiPr3)2(Cl)

: Fc-C6H4-CH=CH-Ru(CO)(PiPr3)2(hexafluoroacetylacetonate)

Conditions

Conditions	Yield
With sodium carbonate In methanol; dichloromethane at 50℃; Inert atmosphere;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazole

: 2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazolium 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate

Conditions

Conditions	Yield
In acetone at 20℃; for 0.25h;	100%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 603-33-8
triphenylbismuthane

: bismuth(III) hexafluoroacetylacetonate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: benzene; Refluxing (1 h).; Evapn. in vac., vac. sublimation, elem. anal.;	99%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: californium thenoyltrifluoroacetonate

: (249)Cf(3+)*3CF3COCHCOCF3(1-)=(249)Cf(CF3COCHCOCF3)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 45°C, flow rate 0.5-2.0l/h, reaction at 191°C, duration 70min; sublimation;	99%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 95-54-5
1,2-diamino-benzene

: 312-73-2
2-Trifluoromethylbenzimidazole

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In N,N-dimethyl-formamide at 80℃; for 24h; Catalytic behavior; Reagent/catalyst;	99%
With gadolinium(III) chloride hexahydrate at 80℃; for 4h;	82%

: (η5-cyclopentadienyl)copper(I) trimethylphosphine

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: trimethylphosphine(hexafluoroacetylacetonato)copper(I)

Conditions

Conditions	Yield
In pentane byproducts: C6H5; stirring under nitrogen at 0°C for 1h, volatile components were removed in vacuum; sublimation at 30°C in vacuum, elem. anal.;	98.5%
In pentane byproducts: C5H6; to the Cu-complex pentane was added; cooled to 0°C;ligand was added while stirring; stirring for 0.75 h; volatiles were removed in vacuo; residue can be sublimed in vacuo (ca 35°C, 0.01 Torr); can be recrystallized from pentane; elem. anal.;	98.5%

: 99632-71-0
{(C8H12)(OOCCH3)2Pd2}

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 94698-82-5
(μ-1-3-η:6-8-η-octadienyl)(hexafluoroacetylacetonato)2Pd2

Conditions

Conditions	Yield
In chloroform (C8H12)Pd2(OAc)2 stirred with CH2(COCF3)2 in CHCl3 at room temp. for 16 h; evapd., washed with n-pentane;	98%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: silver nitrate

: 76122-00-4
silver 1,1,1,5,5,5-hexafluoroacetylacetonate

Conditions

Conditions	Yield
With triethylamine under N2;	98%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: americium thenoyltrifluoroacetonate

: (243)Am(3+)*3CF3COCHCOCF3(1-)=(243)Am(CF3COCHCOCF3)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 50°C, flow rate 0.5-2.0l/h, reaction at 180°C for 65min; sublimation;	98%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: neptunium thenoyltrifluoroacetonate

: (239)Np(4+)*4CF3COCHCOCF3(1-)=(239)Np(CF3COCHCOCF3)4

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated with HHFA at 50°C, flow rate 0.5-2.0l/h, reaction at 180°C for 65min; sublimation;	98%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: ammonium 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate

Conditions

Conditions	Yield
With ammonia In water; acetonitrile at 20℃; for 24h;	98%
With ammonia In hexane Cooling with ice;	95%
With ammonium hydroxide for 0.5h;

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 101597-25-5
1,1-bis(4-methoxyphenyl)-2-propyn-1-ol

: 1236034-39-1
3-(3,3-bis(4-methoxyphenyl)allylidene)-1,1,1,5,5,5-hexafluoro-2,4-pentanedione

Conditions

Conditions	Yield
With [Ru(η3-2-C3H4Me)(CO)(1,1'-bis(diphenylphosphino)ferrocene)][SbF6]; trifluoroacetic acid at 75℃; for 9h; Inert atmosphere; Sealed tube; neat (no solvent);	98%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 123-41-1
cholin hydroxide

: 1428640-83-8
[choline][hexafluoroacetylacetonate]

Conditions

Conditions	Yield
In water for 0.5h; Cooling with ice;	98%
In water

: 309965-66-0
Ru(CH2C(CH3)CH2)2((C6H11)2PCH2P(C6H5)2)

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: Ru((CF3CO)2CH)2((C6H11)2PCH2P(C6H5)2)

Conditions

Conditions	Yield
In toluene (Ar); addn. dropwise of hexafluoroacetylacetone to a soln. of rutheniumcomplex in toluene at -78°C, warming to room temp., stirring for10 min; evapn., dissolving in ether, column chromy (Al2O3, ether-pentane 1:1), evapn.; elem. anal.;	97%

: 309965-65-9
Ru(CH2C(CH3)CH2)2(((CH3)2CH)2PCH2P(C6H5)2)

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: Ru((CF3CO)2CH)2(((CH3)2CH)2PCH2P(C6H5)2)

Conditions

Conditions	Yield
In benzene (Ar); addn. dropwise of hexafluoroacetylacetone to a soln. of rutheniumcomplex in C6H6, stirring for 20 min; evapn., dissolving in pentane, filtration, evapn.;	97%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 26944-71-8
(6-bromopyridin-2-yl)hydrazine

: 1560667-06-2
C10H6BrF6N3O

Conditions

Conditions	Yield
With trifluoroacetic acid In tetrahydrofuran for 12h; Reflux; Inert atmosphere;	97%
With trifluoroacetic acid In tetrahydrofuran for 5h; Time; Solvent; Reagent/catalyst; Concentration; Reflux; Schlenk technique;	94%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 656-49-5
5-chloro-2-(trifluoromethyl)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In N,N-dimethyl-formamide at 80℃; for 24h;	97%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 37466-90-3
ethyl 3,4-diaminobenzoate

: 89457-09-0
ethyl 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylate

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In N,N-dimethyl-formamide at 80℃; for 24h;	97%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 77970-95-7
S-(4-methoxyphenyl)-S-methylsulfoximine

: N-(trifluoromethyl) methyl 4-methoxyphenyl sulfoximine

Conditions

Conditions	Yield
With acetylferrocene; di-tert-butyl(2',4',6'-tri-tert-butylbiphenyl-2-yl)phosphine; bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate In N,N-dimethyl-formamide at 80℃; for 5h; Catalytic behavior; Temperature; Reagent/catalyst; Solvent; Inert atmosphere;	96.8%

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 22133-01-3
S-methyl-S-(4-nitrophenyl)sulfoximine

: N-(trifluoromethyl) methyl 4-nitrophenyl sulfoximine

Conditions

Conditions	Yield
With acetylferrocene; di-tert-butyl(2',4',6'-tri-tert-butylbiphenyl-2-yl)phosphine; bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate In N,N-dimethyl-formamide at 70℃; for 6h; Catalytic behavior; Temperature; Reagent/catalyst; Solvent; Inert atmosphere;	96.5%

: 28491-52-3
5-amino-1,2-dihydropyrazol-3-one

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: 681839-63-4, 89990-37-4
4,6-ditrifluoromethyl-3-oxo-2,3-dihydropyrazolo<3,4-b>pyridine

Conditions

Conditions	Yield
With acetic acid for 2h; Heating;	96%
With acetic acid for 3h; Heating;	88%

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Chemical Properties

Molecular Structure:

Molecular Formula: C₅H₂F₆O₂
Molecular Weight: 208.0586
IUPAC Name: 1,1,1,5,5,5-Hexafluoropentane-2,4-dione
Synonyms of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): 1,1,1,5,5,5-Hexafluoroacetylacetone ; EINECS 216-191-0 ; Hexafluoroacetylacetone ; 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-
CAS NO: 1522-22-1
Product Categories: Halogen compounds
Index of Refraction: 1.304
Molar Refractivity: 26.18 cm³
Molar Volume: 138 cm³
Surface Tension: 19 dyne/cm
Density: 1.506 g/cm³
Flash Point: 30.8 °C
Enthalpy of Vaporization: 31.16 kJ/mol
Boiling Point: 70 °C at 760 mmHg
Vapour Pressure of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): 131 mmHg at 25°C

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Safety Profile

Hazard Codes of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): Corrosive C,F, Irritant Xi
Risk Statements: 10-20/21/22-34
R10: Flammable.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R34: Causes burns.
Safety Statements: 26-36/37/39-45
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 the label whenever possible.)
RIDADR: UN 2920 8/PG 2
WGK Germany: 3
F: 3
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 8
PackingGroup: II

Product Name

HEXAFLUOROACETYLACETONE

Synthetic route

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Chemical Properties

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Safety Profile

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