Chloropentafluoroacetone

Base Information

• Chemical Name: Chloropentafluoroacetone
• CAS No.: 79-53-8
• Molecular Formula: C3ClF5O
• Molecular Weight: 182.477
• Hs Code.: 2914310000
• DSSTox Substance ID: DTXSID6073152
• Nikkaji Number: J3.846F
• Wikidata: Q82001561
• Mol file: 79-53-8.mol

Synonyms:CHLOROPENTAFLUOROACETONE;79-53-8;Pentafluorochloroacetone;2-Propanone, 1-chloro-1,1,3,3,3-pentafluoro-;Pentafluoromonochloroacetone;alpha-Chloroperfluoroacetone;Chloropentafluoro-2-propanone;1-chloro-1,1,3,3,3-pentafluoropropan-2-one;Acetone, monochloropentafluoro-;C3ClF5O;BRN 1773589;AI3-52647;Acetone, 1-chloro-1,1,3,3,3-pentafluoro-;2-Propanone,1-chloro-1,1,3,3,3-pentafluoro-;2-Propanone, 1-monochloro-1,1,3,3,3-pentafluoro-;C6Cl2F10O2.5H2O;C6-Cl2-F10-O2.5H2-O;2-Propanone, 1-chloro-1,1,3,3,3-pentafluoro-, hydrate;chlorpentafluoroacetone;SCHEMBL4184754;DTXSID6073152;MFCD00042218;AKOS006228771;11-BROMOUNDECANOICACIDETHYLESTER;LS-122812;FT-0623684;1-chloro-1,1,3,3,3-pentafluoro-2-propanone

Chemical Property of Chloropentafluoroacetone

Chemical Property:

• Vapor Pressure: 420mmHg at 25°C
• Melting Point: -133°C
• Refractive Index: 1.304
• Boiling Point: 40.6 °C at 760 mmHg
• PSA: 17.07000
• Density: 1.602 g/cm³
• LogP: 1.94940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 181.9557831
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Chloropentafluoroacetone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 26-34-41-63
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)C(F)(F)Cl
• Uses: Chloropentafluoroacetone is used to modify other compounds by the addiction of CF3 and CF2Cl groups.

Technology Process of Chloropentafluoroacetone

There total 8 articles about Chloropentafluoroacetone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

α-(fluorosulfato)pentafluoroacetone (51689-98-6) → chloropentafluoroacetone (79-53-8)

Guidance literature:

With lithium chloride; In diethylene glycol dimethyl ether; at 25 ℃; for 0.5h;

DOI:10.1007/BF00958254

Reference yield: 78.0%

3,3-dichloro-1,1,1,3-tetrafluoroacetone (920-65-0) → chloropentafluoroacetone (79-53-8)

Guidance literature:

With antimony pentafluoride; at 45 ℃; for 5h;

DOI:10.1016/S0022-1139(00)80488-1

Reference yield:

3-chloropentafluoropropene-1,2-oxide (5068-87-1) → chloropentafluoroacetone (79-53-8) + Hexafluoroacetone (684-16-2)

Guidance literature:

With antimony pentafluoride; for 4h; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/S0040-4039(00)73477-0

upstream raw materials:

1,1,1,3,3,3-hexachloro-propan-2-one

pentafluoroprop-1-en-2-ol

3,3-dichloro-1,1,1,3-tetrafluoroacetone

α-(fluorosulfato)pentafluoroacetone

Downstream raw materials:

1,1,1-trichloro-3,3,3-trifluoro-propan-2-one

trifluoroacetic acid

α-(Chlordifluormethyl)-α-(trifluormethyl)-o-fluor-benzylalkohol

trans-1-Phenyl-4-hydroxy-4-trifluormethyl-4-chlordifluormethyl-buten-⁽¹⁾

Refernces

• 1、 Burton, Donald J.,Jeong, In Howa. "Preparation of α-halo-F-2-ketones and F-2-ketones via fluorination of α,α-dihalo-F-2-ketones". . p. 153 - 156. Retrieved 2007/10/02.
• 2、 Rogovik, V. M.,Delyagina, N. I.,Mysov, E. I.,Cherstov, V. F.,Sterlin, S. R.,German, L. S.. "FLUOROALIPHATIC ESTERS OF FLUOROSULFONIC ACID. 4. REACTIONS OF α-FLUOROSULFATOPERFLUORO KETONES WITH NUCLEOPHILIC REAGENTS". . p. 1879 - 1882. Retrieved 2007/10/02.