1,1,1,3,3,3-Hexafluoropropan-2-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoropropan-2-yl trifluoromethanesulfonate
• CAS No.: 156241-41-7
• Molecular Formula: C4H F9 O3 S
• Molecular Weight: 300.102
• Hs Code.: 2904990090
• European Community (EC) Number: 674-870-0
• Nikkaji Number: J969.266E
• Mol file: 156241-41-7.mol

Synonyms:156241-41-7;HEXAFLUOROISOPROPYL TRIFLUOROMETHANESULFONATE;1,1,1,3,3,3-hexafluoropropan-2-yl trifluoromethanesulfonate;1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate;Methanesulfonic acid, 1,1,1-trifluoro-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester;2H-Perfluoroprop-2-yl trifluoromethanesulphonate;HEXAFLUOROISOPROPYLTRIFLUOROMETHANESULFONATE;1,1,1,3,3,3-Hexafluoroisopropyl trifluoromethanesulphonate;1,1,1,3,3,3-Hexafluoroprop-2-yl triflate;SCHEMBL4119223;NRHQWNHARTXNOE-UHFFFAOYSA-N;BBL103548;MFCD02093340;STL557358;AKOS007930774;AS-78492;1,1,1,3,3,3-Hexafluoroisopropyl Triflate;FT-0676353;H1276;T71855;A809726;Trifluoromethanesulfonic Acid 1,1,1,3,3,3-Hexafluoroisopropyl Ester;Trifluoromethanesulfonic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester

Chemical Property of 1,1,1,3,3,3-Hexafluoropropan-2-yl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 39.1mmHg at 25°C
• Refractive Index: 1.301
• Boiling Point: 102.4oC at 760 mmHg
• Flash Point: 15.7oC
• PSA: 51.75000
• Density: 1.749g/cm3
• LogP: 3.42660
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 299.95026852
• Heavy Atom Count: 17
• Complexity: 340

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(F)(F)F

Technology Process of 1,1,1,3,3,3-Hexafluoropropan-2-yl trifluoromethanesulfonate

There total 1 articles about 1,1,1,3,3,3-Hexafluoropropan-2-yl trifluoromethanesulfonate 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:

trifluoromethane sulfonyl chloride (421-83-0) + 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → hexafluoroisopropyl trifluoromethanesulphonate (156241-41-7)

Guidance literature:

With triethylamine; In benzene; at -10 ℃; for 2h;

DOI:10.1039/P29840000583

Reference yield:

hexafluoroisopropyl trifluoromethanesulphonate (156241-41-7) → hexafluoroacetone hydrate (677-71-4) + trifluoromethanesulfinic acid caesium salt

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; carbon dioxide; caesium carbonate; at 50 ℃; for 16h; under 22502.3 Torr; Schlenk technique;

DOI:10.1002/cssc.202000090

upstream raw materials:

trifluoromethane sulfonyl chloride

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

Downstream raw materials:

hexafluoroacetone hydrate

Refernces