2-Chloro-1,1,1,3,3,3-hexafluoropropane

Base Information

• Chemical Name: 2-Chloro-1,1,1,3,3,3-hexafluoropropane
• CAS No.: 431-87-8
• Molecular Formula: C3HClF6
• Molecular Weight: 186.484
• Hs Code.: 2903791090
• European Community (EC) Number: 207-078-7
• UNII: SF29B7Q8MK
• DSSTox Substance ID: DTXSID4075033
• Nikkaji Number: J50.728H
• Wikidata: Q82003099
• Mol file: 431-87-8.mol

Synonyms:2-Chloro-1,1,1,3,3,3-hexafluoropropane;431-87-8;1,1,1,3,3,3-Hexafluoro-2-chloropropane;HCFC 226da;HCFC-226da;2-chloro-1,1,1,3,3,3-hexafluoro-propane;Monochlorohexafluoropropane;HCFC-226;PROPANE, 2-CHLORO-1,1,1,3,3,3-HEXAFLUORO-;EINECS 207-078-7;BRN 1748839;SF29B7Q8MK;UNII-SF29B7Q8MK;SCHEMBL407693;DTXSID4075033;MFCD01698452;AKOS006229009;LS-119667;FT-0611670

Chemical Property of 2-Chloro-1,1,1,3,3,3-hexafluoropropane

Chemical Property:

• Vapor Pressure: 1010mmHg at 25°C
• Melting Point: -119.6oC
• Refractive Index: 1.2173 (estimate)
• Boiling Point: 16.9°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.521g/cm³
• LogP: 2.71840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 185.9670967
• Heavy Atom Count: 10
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1,1,1,3,3,3-hexafluoropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)Cl
• Uses: 2-Chloro-1,1,1,3,3,3-hexafluoropropane is used as a refrigerant. It is also an ozone depleting compound.

Technology Process of 2-Chloro-1,1,1,3,3,3-hexafluoropropane

There total 34 articles about 2-Chloro-1,1,1,3,3,3-hexafluoropropane 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: 78.0%

1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester (118334-96-6) → 2-chloro-1,1,1,3,3,3-hexafluoropropane (431-87-8,134308-72-8)

Guidance literature:

With (1,4,7,10-tetraoxacyclododecane); lithium chloride; In acetylacetone; at 130 ℃; for 16h;

DOI:10.1021/jo00267a036

Reference yield:

2,2-dichloro-1,1,1,3,3,3-hexafluoro-propane (1652-80-8) + 2-Chloro-F-propane (76-18-6) → 1,1,1,2,3,3,3-Heptafluoropropane (431-89-0) + 2H-pentafluoropropene (690-27-7) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + 2-chloropentafluoropropene (2804-50-4) + 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 2-chloro-1,1,1,3,3,3-hexafluoropropane (431-87-8,134308-72-8)

Guidance literature:

With hydrogen; 10% Pd/C; 10% Pd/C; at 100 - 500 ℃; for 0.000833333 - 0.00983333h; under 735.572 - 6546.59 Torr; Combinatorial reaction / High throughput screening (HTS);

Reference yield:

1-chloro-1,1,3,3,3-pentafluoropropane (460-92-4) → 2H-pentafluoropropene (690-27-7) + 1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) + 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 2-chloro-1,1,1,3,3,3-hexafluoropropane (431-87-8,134308-72-8)

Guidance literature:

With hydrogen fluoride; 20% CrCl3 on carbon; at 53 - 400 ℃; for 4.5h; Product distribution / selectivity;

upstream raw materials:

1,1,2-trichloro-3,3,3-trifluoropropene

2-chloropentafluoropropene

3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

1,1,1,3',3',3'-hexafluoro-propanol

Downstream raw materials:

1,1,1,3',3',3'-hexafluoro-propanol

(2-chloro-1,3,3,3-tetrafluoro-propenyl)-phenyl ether

2,2-dichloro-1,1,1,3,3,3-hexafluoro-propane

(2-chloro-1,1,3,3,3-pentafluoro-propyl)-phenyl ether

Refernces

• 1、 -. "Preparation of composition containing chromium, oxygen, and either silver or palladium, and their use as catalysts and catalyst precursors". Page/Page column 8-9. . Retrieved 2008/12/08.
• 2、 -. "Compositions containing chromium, oxygen, and at least two modifier metals selected the group consisting of gold, silver, and palladium, their preparation, and their use as catalysts and catalyst precursors". Page/Page column 12-13. . Retrieved 2008/12/08.