Bis(trifluoromethyl) sulfoxide

Base Information

• Chemical Name: Bis(trifluoromethyl) sulfoxide
• CAS No.: 30341-37-8
• Molecular Formula: C2F6OS
• Molecular Weight: 186.078
• DSSTox Substance ID: DTXSID90600295
• Nikkaji Number: J2.089.314A
• Wikidata: Q82496302
• Mol file: 30341-37-8.mol

Synonyms:bis(trifluoromethyl) sulfoxide;30341-37-8;SCHEMBL126995;DTXSID90600295;OCOTWWSGPAHHQW-UHFFFAOYSA-N;AKOS026745847;Trifluoro(trifluoromethanesulfinyl)methane

Chemical Property of Bis(trifluoromethyl) sulfoxide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 185.95740477
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(trifluoromethyl) sulfoxide

There total 18 articles about Bis(trifluoromethyl) sulfoxide 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: 77.0%

dimethylsulfite (616-42-2) + (trifluoromethyl)trimethylsilane (81290-20-2) → bis(trifluoromethyl) sulfoxide (30341-37-8)

Guidance literature:

With cesium fluoride; In benzonitrile; at 50 ℃; for 0.5h;

DOI:10.1021/jo982494c

Reference yield: 69.0%

(trifluoromethyl)trimethylsilane (81290-20-2) → bis(trifluoromethyl) sulfoxide (30341-37-8)

Guidance literature:

With ethylene sulfite; cesium fluoride; at -20 - 25 ℃; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1039/c9ob02119a

Reference yield: 65.0%

difluoro(trifluoromethyl)trifluormethylsulfanylsulfur(IV) (26391-89-9) + water (7732-18-5) → bis(trifluoromethyl) sulfoxide (30341-37-8)

Guidance literature:

With KF; stoich. amts. of H2O at -50°C, 24 h;

upstream raw materials:

dimethylsulfite

(trifluoromethyl)trimethylsilane

bis-(trifluoromethyl)sulfide

fluorine

Downstream raw materials:

(CF₃)2SOXeF⁽¹⁺⁾*SbF₆^(1-)=(CF₃)2SOXeFSbF₆

bis(trifluoromethyl)bis(trifluoromethoxy)oxosulfur(VI)

silicon tetrafluoride

Carbonyl fluoride