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Hexafluoroacetone trihydrate

Hexafluoroacetone trihydrate structure

Hexafluoroacetone trihydrate 

structure
  • CAS No:

    34202-69-2

  • Formula:

    C3F6O.3H2O

  • Chemical Name:

    Hexafluoroacetone trihydrate

  • Synonyms:

    2-Propanone,1,1,1,3,3,3-hexafluoro-,hydrate (1:3);2-Propanone,1,1,1,3,3,3-hexafluoro-,trihydrate;Hexafluoroacetone trihydrate

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Hexafluoroacetone trihydrate Basic Attributes

220.068

220.017029

DTXSID50187794

2915900090

Characteristics

44.76000

1.48720

1.579 g/mL at 25 °C(lit.)

18-21 °C

106-108 °C

105-106°C

n20/D 1.319(lit.)

87.5 psi ( 21 °C)

Safety Information

II

6.1

UN 2552 6.1/PG 2

3

R23/24/25;R34;R63

S26-S36/37/39-S45

UC2700000

T:Toxic

P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310

H301 + H331-H310-H314-H361

|Danger|H301 (97.87%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P262, P264, P270, P271, P280, P281, P284, P301+P310, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P320, P321, P322, P330, P332+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

hexafluoroacetone

Hexafluoroacetone trihydrate Use and Manufacturing

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.

Computed Properties

Molecular Weight:220.07
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Exact Mass:220.01702764
Monoisotopic Mass:220.01702764
Topological Polar Surface Area:20.1
Heavy Atom Count:13
Complexity:124
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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