Bis(trifluoromethylsulphonyl)methane

Base Information

• Chemical Name: Bis(trifluoromethylsulphonyl)methane
• CAS No.: 428-76-2
• Deprecated CAS: 1018832-20-6
• Molecular Formula: C3H2 F6 O4 S2
• Molecular Weight: 280.169
• Hs Code.: 2904909090
• European Community (EC) Number: 207-052-5
• DSSTox Substance ID: DTXSID2059982
• Nikkaji Number: J196.109H
• Wikidata: Q81989024
• Mol file: 428-76-2.mol

Synonyms:428-76-2;Bis(trifluoromethylsulphonyl)methane;bis(trifluoromethanesulfonyl)methane;bis(trifluoromethylsulfonyl)methane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;Methane, bis((trifluoromethyl)sulfonyl)-;Methane, bis[(trifluoromethyl)sulfonyl]-;EINECS 207-052-5;SCHEMBL65750;C3H2F6O4S2;DTXSID2059982;Bis(trifluoromethanesulphonyl)methane;C3-H2-F6-O4-S2;MFCD01861122;AKOS032950022;Bis(trifluoromethanesulfonyl)methane, 97%;H10920

Chemical Property of Bis(trifluoromethylsulphonyl)methane

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Melting Point: 35℃
• Boiling Point: 300.8°Cat760mmHg
• Flash Point: 135.7°C
• PSA: 85.04000
• Density: 1.832g/cm³
• LogP: 2.97470
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 279.92986986
• Heavy Atom Count: 15
• Complexity: 371

Purity/Quality:

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

Bis(trifluoromethanesulfonyl)methane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Uses: A useful, solid, non-hygroscopic, nonoxidizing, soluble in organic solvents ligand for Lanthanide chemistry

Technology Process of Bis(trifluoromethylsulphonyl)methane

There total 15 articles about Bis(trifluoromethylsulphonyl)methane 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: 91.0%

→ bis(trifluoromethanesulfonyl)methane (428-76-2)

Guidance literature:

Reference yield: 53.0%

trifluoromethylsulfonic anhydride (358-23-6) + trimethylsilylmethyllithium (1822-00-0) → bis(trifluoromethanesulfonyl)methane (428-76-2)

Guidance literature:

In pentane; at 0 ℃; for 1h;

DOI:10.1021/jo9800917

Reference yield: 21.4%

Ethyl 2,2-Bis<(trifluoromethyl)thio>acetate (84132-17-2) → bis(trifluoromethanesulfonyl)methane (428-76-2)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 110 ℃; for 10h;

upstream raw materials:

methyl magnesium iodide

Trifluoromethanesulfonyl fluoride

methylmagnesium chloride

2,2-Bis<(trifluoromethyl)thio>acetic acid

Downstream raw materials:

phenyliodonium bis(trifluoromethylsulfonyl)methylide

p-(N,N-dimethylamino)-β,β-bis(trifluoromethylsulfonyl)styrene

tris-(trifluoromethanesulfonyl)methane acid

1,1-bis(perfluoromethylsulfonyl)-3-phenylpropene

Refernces

• 1、 Yanai, Hikaru,Takahashi, Arata,Taguchi, Takeo. "Dimethylaluminum methide complex Tf2CHAlMe2: an effective catalyst for Diels-Alder reaction of α,β-unsaturated lactone derivatives with cyclopentadiene". . p. 12149 - 12159. Retrieved 2008/02/10.
• 2、 Winter, Rolf W.,Gard. "The addition of (CF3SO2)2CHBr to vinylidene fluoride". . p. 1324 - 1327. Retrieved 2008/09/19.