Difluoromethanesulfonyl fluoride

Base Information

• Chemical Name: Difluoromethanesulfonyl fluoride
• CAS No.: 1554-47-8
• Molecular Formula: CHF3O2S
• Molecular Weight: 134.079
• DSSTox Substance ID: DTXSID50537891
• Nikkaji Number: J897.699F
• Wikidata: Q72463119
• Mol file: 1554-47-8.mol

Synonyms:DIFLUOROMETHANESULFONYL FLUORIDE;1554-47-8;Methanesulfonyl fluoride, 1,1-difluoro-;difluoromethanesulfonylfluoride;CHF3O2S;SCHEMBL136590;DTXSID50537891;OEDFBJZWAYJCHE-UHFFFAOYSA-N;AKOS005063797;ES-2174;CS-0437763;EN300-64016;G33759

Chemical Property of Difluoromethanesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 382mmHg at 25°C
• Melting Point: 50-55 °C
• Refractive Index: 1.307
• Boiling Point: 44 °C at 760 mmHg
• PSA: 42.52000
• Density: 1.619 g/cm³
• LogP: 1.58910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 133.96493493
• Heavy Atom Count: 7
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

difluoromethanesulfonylfluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)S(=O)(=O)F

Technology Process of Difluoromethanesulfonyl fluoride

There total 8 articles about Difluoromethanesulfonyl fluoride 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: 80.0%

Carbamoyldifluoromethanesulfonylfluoride → difluoromethanesulfonyl fluoride (1554-47-8) + Cyanodifluoromethanesulfonylfluoride (198140-97-5)

Guidance literature:

With phosphorus pentoxide; at 130 ℃;

DOI:10.1016/S0022-1139(97)00055-9

Reference yield: 71.0%

2,2-difluoro-2-(fluorosulfonyl)acetic acid (1717-59-5) → difluoromethanesulfonyl fluoride (1554-47-8)

Guidance literature:

With sodium sulfate; In acetonitrile;

DOI:10.1039/b206868k

Reference yield: 70.0%

polytetrafluoroethylene (116-14-3,82785-14-6) + potassium tetrafluoro(2-fluorosulfonyl)-1-ethanolate (81439-24-9) → 1,2-diiodotetrafluoroethane (354-65-4) + 5-iodooctafluoro-3-oxapentanesulfonyl fluoride (66137-74-4) + difluoromethanesulfonyl fluoride (1554-47-8)

Guidance literature:

With bromine; iodine; In diethylene glycol dimethyl ether; for 4h; under 15001.2 Torr;

DOI:10.1016/S0022-1139(00)83141-3

upstream raw materials:

polytetrafluoroethylene

potassium tetrafluoro(2-fluorosulfonyl)-1-ethanolate

2,2-difluoro-2-(fluorosulfonyl)acetic acid

difluoromethylsulfonyl chloride

Downstream raw materials:

difluoromethanesulfonic acid

phenethyl difluoromethanesulfonate

perfluorophenyl difluoromethanesulfonate

4-methoxyphenyl difluoromethanesulfonate

Refernces

• 1、 Bargigia, G. A.,Caporiccio, G.,Pianca, M.. "PERFLUORO-ω-IODO-3-OXAALKANESULFONYL FLUORIDES AS INTERMEDIATES FOR SURFACTANTS AND VINYL COMPOUNDS". . p. 403 - 410. Retrieved 1982.
• 2、 -. "PROCESS FOR FLUORINATION OF SULPHONYL HALIDE COMPOUNDS". Paragraph 0099-0101; 0130-0135. . Retrieved 2017/01/05.
• 3、 Kobayashi, Masafumi,Inoguchi, Tetsuya,Iida, Takashi,Tanioka, Takashi,Kumase, Hiroshi,Fukai, Yasushi. "Development of direct fluorination technology for application to materials for lithium battery". . p. 105 - 110. Retrieved 2007/10/03.