Hexafluoroacetone trihydrate
Synonym(s):Hexafluoro-2-propanone trihydrate;Perfluoroacetone trihydrate
- CAS NO.:34202-69-2
- Empirical Formula: C3H6F6O4
- Molecular Weight: 220.07
- MDL number: MFCD00149061
- EINECS: 629-519-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-11 15:28:25
What is Hexafluoroacetone trihydrate?
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].
The Uses of Hexafluoroacetone trihydrate
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.
The Uses of Hexafluoroacetone trihydrate
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.
What are the applications of Application
Hexafluoroacetone trihydrate is a building block in organic synthesis
General Description
Hexafluoroacetone trihydrate forms crystalline 1:1 complexes with imidazole 3-oxides.
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.
Properties of Hexafluoroacetone trihydrate
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 | n |
Flash point: | 105-106°C |
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 |
CAS DataBase Reference | 34202-69-2(CAS DataBase Reference) |
Safety information for Hexafluoroacetone trihydrate
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H310:Acute toxicity,dermal H314:Skin corrosion/irritation H361:Reproductive toxicity |
Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Hexafluoroacetone trihydrate
InChIKey | SNZAEUWCEHDROX-UHFFFAOYSA-N |
SMILES | C(F)(F)(F)C(=O)C(F)(F)F.O.O.O |
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