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| | Hexafluoroacetone trihydrate Basic information |
| Product Name: | Hexafluoroacetone trihydrate | | Synonyms: | Hexafluoroacetone trihydrate, min. 97%;Perfluoroacetone hydrate;PERFLUOROACETONE TRIHYDRATE;1,1,1,3,3,3-Hexafluoropropan-2-one trihydrate;HFA·3H2O;1,1,1,3,3,3-Hexafluoropropan-2-one trihydrate, Hexafluoroacetone trihydrate;Perfluoroacetone trihydrate 98%;Hexafluoroacet | | CAS: | 34202-69-2 | | MF: | C3H6F6O4 | | MW: | 220.07 | | EINECS: | 629-519-6 | | Product Categories: | organofluorine compounds;Fluoro series;Pharmaceutical Intermediates;Organic Fluorides;top | | Mol File: | 34202-69-2.mol |  |
| | Hexafluoroacetone trihydrate Chemical Properties |
| 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 | | storage temp. | Store at room temperature | | Water Solubility | Completely soluble in water | | form | liquid | | color | colorless | | Specific Gravity | 1.579 | | Merck | 14,4685 | | 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) |
| Hazard Codes | T | | Risk Statements | 23/24/25-34-63 | | Safety Statements | 26-36/37/39-45 | | 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 |
| | Hexafluoroacetone trihydrate Usage And Synthesis |
| 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. | | Uses | Hexafluoroacetone trihydrate was used to study the kinetics and thermodynamics of linkage isomerization of (acetone)pentaammineruthenium (III) and-ruthenium (II) complexes. It was used in a study to reconstitute the α-and β-polypeptides of both Rhodobacter sphaeroides and Rhodospirillum rubrum with bacteriochlorophyll a. | | 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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| | Hexafluoroacetone trihydrate Preparation Products And Raw materials |
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