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HomeProduct name listHexafluoroacetone trihydrate

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
Hexafluoroacetone trihydrate Structural

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  n20/D 1.319(lit.)
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)
ghs
Corrosion
Corrosives
GHS05
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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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