Methanesulfonyl fluoride

Base Information

• Chemical Name: Methanesulfonyl fluoride
• CAS No.: 558-25-8
• Molecular Formula: CH3FO2S
• Molecular Weight: 98.098
• Hs Code.: 2904909090
• European Community (EC) Number: 209-192-2
• UN Number: 3389
• UNII: 9H250YYY0R
• DSSTox Substance ID: DTXSID8060329
• Nikkaji Number: J6.487D
• Wikipedia: Methanesulfonyl_fluoride
• Wikidata: Q6823571
• ChEMBL ID: CHEMBL4297433
• Mol file: 558-25-8.mol

Synonyms:methanesulfonyl fluoride;methylsulfonylfluoride

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Chemical Property of Methanesulfonyl fluoride

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Refractive Index: 1.360
• Boiling Point: 123.5°Cat760mmHg
• Flash Point: 28.5°C
• PSA: 42.52000
• Density: 1.371g/cm³
• LogP: 0.99630
• Sensitive.: Hygroscopic
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 97.98377867
• Heavy Atom Count: 5
• Complexity: 95.3
• Transport DOT Label: Poison Inhalation Hazard Corrosive

Purity/Quality:

Safty Information:

• Pictogram(s): T+,C
• Hazard Codes: T+,C,T
• Statements: 23-28-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CS(=O)(=O)F
• Recent ClinicalTrials: Safety and Pharmacokinetics of SNX-001 in Healthy Aged Volunteers

Technology Process of Methanesulfonyl fluoride

There total 12 articles about Methanesulfonyl 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: 95.0%

tetrafluoroethane-β-sultone (697-18-7) + methanesulfonyl chloride (124-63-0) → methyl fluorosulfonate (558-25-8) + chlorosulfuric acid trifluorovinyl ester (923-15-9)

Guidance literature:

at room temp.;

Reference yield: 94.0%

methanesulfonyl chloride (124-63-0) → methyl fluorosulfonate (558-25-8)

Guidance literature:

With potassium fluoride; In water; at 10 - 30 ℃;

Reference yield: 81.0%

1,2,2-trifluoro-2-hydroxy-1-trifluoromethylethanesulfonic acid sultone (773-15-9) + methanesulfonyl chloride (124-63-0) → methyl fluorosulfonate (558-25-8) + chlorosulfuric acid pentafluoropropenyl ester (13002-01-2)

Guidance literature:

at 60°C;

upstream raw materials:

methanesulfonyl chloride

methanesulfonyl trimethylsilyl chloride

Methylsulfur trifluoride

tetrafluoroethane-β-sultone

Downstream raw materials:

o-chlorophenyl methyl sulfone

4-chlorophenyl methyl sulfone

phenyl methanesulfonate

C₁₁H₁₄FNO₂S

Refernces

• 1、 Pérez-Palau, Marina,Cornella, Josep. "Synthesis of Sulfonyl Fluorides from Sulfonamides". supporting information. p. 2497 - 2500. Retrieved 2020/03/11.
• 2、 Lee, Cayo,Ball, Nicholas D.,Sammis, Glenn M.. "One-pot fluorosulfurylation of Grignard reagents using sulfuryl fluoride". supporting information. p. 14753 - 14756. Retrieved 2019/12/23.