1,1,1,3,3,3-Hexafluoropropane

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoropropane
• CAS No.: 690-39-1
• Deprecated CAS: 468064-54-2
• Molecular Formula: C3H2F6
• Molecular Weight: 152.039
• Hs Code.: 2903399090
• European Community (EC) Number: 425-320-1,614-909-0
• UNII: 7075BUD0LM
• DSSTox Substance ID: DTXSID8052435
• Nikkaji Number: J50.919A
• Wikipedia: 1,1,1,3,3,3-Hexafluoropropane
• Wikidata: Q4545640
• Mol file: 690-39-1.mol

Synonyms:1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3,3-HFP;2,2-dihydroperfluoropropane;bistrifluoromethylmethane

Chemical Property of 1,1,1,3,3,3-Hexafluoropropane

Chemical Property:

• Appearance/Colour: colourless gas
• Vapor Pressure: 249kPa
• Melting Point: -93.6°C
• Refractive Index: 1.2775 (estimate)
• Boiling Point: -1.4°C
• PSA: 0.00000
• Density: 1.371 g/cm³
• LogP: 2.50110
• Water Solubility.: 724mg/L at 20℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 152.00606904
• Heavy Atom Count: 9
• Complexity: 73.5

Purity/Quality:

99.9% ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoropropane 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(C(F)(F)F)C(F)(F)F
• Uses: HFC 236fa is a CFC replacement for use as a refrigerant and fire-extinguishing agent.

Technology Process of 1,1,1,3,3,3-Hexafluoropropane

There total 50 articles about 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: 100.0%

3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid (564-10-3) → 1,1,1,3,3,3-hexafluoropropane (690-39-1)

Guidance literature:

at 90 ℃; for 4h; Temperature;

Reference yield: 43.0%

perfluoro-2-methylpent-2-ene (1584-03-8) → 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 3,3,4,4,4-pentafluorobutan-2-one (374-41-4) + (Z)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene (22146-75-4) + (E)-2H-nonafluoro-2-pentene (22146-76-5)

Guidance literature:

With water; triethylamine; In acetonitrile; at 45 - 60 ℃; for 5h;

DOI:10.1016/S0022-1139(03)00145-3

Reference yield: 40.0%

Oxalacetic acid (328-42-7) → 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 2,2-dihydroperfluorobutane (2924-29-0)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 20 ℃; for 12h; steel autoclave;

upstream raw materials:

1,1,1-trichloro-3,3,3-trifluoropropane

1,1,1,3-tetrachloro-3,3-difluoro-propane

1,3-dibromo-1,1,3,3-tetrafluoro-propane

2H-pentafluoropropene

Downstream raw materials:

1,2-dibromohexafluoropropane

1,1,1,3,3,3-hexafluoroisopropyl bromide

1,1-difluoropropene

Hexafluoroethane

Refernces

• 1、 Braun, Thomas,Pan, Xinzi,Scholz, Gudrun,Talavera, Maria. "Chlorodefluorination of Fluoromethanes and Fluoroolefins at a Lewis Acidic Aluminum Fluoride". . . Retrieved 2022/03/27.
• 2、 -. "Method for co-preparation of 2,3,3,3-tetrafluoropropene and 1,3,3,3-tetrafluoropropene from hexafluoropropylene". Paragraph 0160; 0161; 0162; 0163. . Retrieved 2017/01/05.