| Identification | More | [Name]
Hexafluoroacetone trihydrate | [CAS]
34202-69-2 | [Synonyms]
HEXAFLUORO-2-PROPANONE HYDRATE
HEXAFLUORO-2-PROPANONE TRIHYDRATE
HEXAFLUOROACETONE HYDRATE
HEXAFLUOROACETONE TRIHYDRATE
Perfluoroacetone hydrate
PERFLUOROACETONE TRIHYDRATE
gc7787
hexafluoro-2-propanontrihydrate
hexafluoro-acetontrihydrate
Hexafluoracetone trihydrate
Hexafluoroacetonetrihydrate,min.97%
Hexafluoroacetone trihydrate 98%
Hexafluoroacetonetrihydrate98%
HEXAFLUOROACETONE TRIHYDRATE(HFA3H2O)
Hexafluoro-2-propanone trihydrate, Perfluoroacetone trihydrate | [EINECS(EC#)]
211-676-3 | [Molecular Formula]
C3H6F6O4 | [MDL Number]
MFCD00149061 | [Molecular Weight]
220.07 | [MOL File]
34202-69-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
18-21 °C(lit.)
| [Boiling point ]
106-108 °C
| [density ]
1.579 g/mL at 25 °C(lit.)
| [vapor pressure ]
87.5 psi ( 21 °C)
| [refractive index ]
n20/D 1.319(lit.)
| [Fp ]
105-106°C | [Water Solubility ]
Completely soluble in water | [form ]
liquid | [color ]
colorless | [Specific Gravity]
1.579 | [Merck ]
4685 | [BRN ]
607236 | [InChI]
InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2 | [InChIKey]
SNZAEUWCEHDROX-UHFFFAOYSA-N | [SMILES]
C(F)(F)(F)C(=O)C(F)(F)F.O.O.O | [CAS DataBase Reference]
34202-69-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R63:Possible risk of harm to the unborn child. | [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 2552 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
UC2700000
| [Hazard Note ]
Highly Toxic | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
2914790090 |
| Hazard Information | Back Directory | [Description]
Hexafluoroacetone trihydrate, also known as gem diol, hexafluoropropan-2,2- diol, is a covalent hydrate of the ketone. It could used as a structure stabilizer for peptides. It was a metabolite of aerosol propellant HFA-227 and is present in the urine. It was shown to undergo an efficient carbonyl-ene reaction with a variety of alkenes in the presence of molecular sieves under microwave heating and conventional heating producing hexafluoroisopropanol functionalized derivatives in high yields[1-2]. | [Uses]
Hexafluoroacetone trihydrate (HFA?3H2O) is used to produce Sevoflurane,a high quality anesthetic and Bisphenol AF, a crosslinker for fluoroelastomers. It can also be used to produce various high-end fluorinated products such as fluorinated polyimide, etc. | [General Description]
Hexafluoroacetone trihydrate forms crystalline 1:1 complexes with imidazole 3-oxides. | [Synthesis]
A spherical fluorinated alumina catalyst (30 g) (particle diameter: 2 to 4 mm) was charged into a reaction tube made of SUS316 (inner diameter: 16 mm, length: 460 mm). The reaction tube was heated to 140° C, and hexafluoro-1,2-epoxypropane (purity: 95%, impurity content: 5% hexafluoropropene) was fed into the reaction tube under the conditions of a feed rate of 50 Nml/min and a total pressure of 3 atmospheres. After 1 hour, the exit gas was analyzed by gas chromatography, with the result that the conversion of hexafluoro-1,2-epoxypropane was 100%. The exit gas was passed into the water, producing crude hexafluoroacetone trihydrate.
| [References]
[1] Sridhar M, et al. A facile method for the preparation of hexafluoroisopropanol functionalized derivatives using hexafluoroacetone trihydrate via a carbonyl-ene reaction. Tetrahedron Letters, 2009; 50: 1777-1779.
[2] K?ster U, et al. Biotransformation of the aerosol propellant 1,1,1,2,3,3,3-heptafluoropropane (HFA-227): lack of protein binding of the metabolite hexafluoroacetone. Drug Metabolism and Disposition , 1996.
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