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| CAS No.: | 1522-22-1 |
|---|---|
| Name: | HEXAFLUOROACETYLACETONE |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H2F6O2 |
| Molecular Weight: | 208.06 |
| 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; |
| EINECS: | 216-191-0 |
| Density: | 1.506 g/cm3 |
| Boiling Point: | 70 °C at 760 mmHg |
| Flash Point: | 30.8 °C |
| Solubility: | Not miscible in water. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 C,  F,  Xi
|
| Risk Codes: | 10-20/21/22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2920 8/PG 2 |
| PSA: | 34.14000 |
| LogP: | 1.63930 |
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- 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone
| 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 | Yield |
|---|---|
| With water 1.) 20 deg C, 7 d, 2.) 100 - 110 deg C, 70 h; Title compound not separated from byproducts; |
- 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
E
- 76-05-1
trifluoroacetic acid
| Conditions | Yield |
|---|---|
| With water at 20℃; for 168h; Product distribution; other temp., other time; |
- 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 | 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
C
- 76-05-1
trifluoroacetic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; phosphorus pentoxide at 20℃; Product distribution; effect of temp. on keto-enol equilibrium; |
- 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 | 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; |
| Conditions | Yield |
|---|---|
| In Petroleum ether Kinetics; React. in the temp. range from 14.8-24.8°C (10-fold excess TFBA).; Monitoring by UV.; |
- 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 | 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 |
| 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% |
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Chemistry
Molecular Structure:
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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
Safety Profile
Hazard Codes of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): 
C,
F,
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