Difluoromethanesulphonic acid

Base Information

• Chemical Name: Difluoromethanesulphonic acid
• CAS No.: 40856-07-3
• Molecular Formula: CH2 F2 O3 S
• Molecular Weight: 132.088
• European Community (EC) Number: 255-115-0
• DSSTox Substance ID: DTXSID50193830
• Nikkaji Number: J294.772B
• Wikidata: Q72463122
• Mol file: 40856-07-3.mol

Synonyms:Difluoromethanesulphonic acid;difluoromethanesulfonic acid;40856-07-3;EINECS 255-115-0;Difluoromethanesulphonicacid;CH2F2O3S;difluoromethane sulfonic acid;SCHEMBL446345;DTXSID50193830;C-H2-F2-O3-S;AKOS005063799;BB 0261613;FT-0739307

Chemical Property of Difluoromethanesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -2.03±0.50(Predicted)
• Flash Point: °C
• PSA: 62.75000
• Density: 1.764g/cm³
• LogP: 1.17760
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 131.96927142
• Heavy Atom Count: 7
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)S(=O)(=O)O

Technology Process of Difluoromethanesulphonic acid

There total 5 articles about Difluoromethanesulphonic acid 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: 99.0%

difluoromethanesulfonyl fluoride (1554-47-8) → difluoromethanesulfonic acid (40856-07-3)

Guidance literature:

With water; In tetrahydrofuran; at 80 ℃; for 6h; with catalyst Na₂SO₄; CH₃CN as solvent (45 deg C, 5 h);

DOI:10.1016/S0022-1139(00)82402-1

Reference yield:

2,2-difluoro-2-(fluorosulfonyl)acetic acid (1717-59-5) → trifluoromethan (75-46-7) + 2,2-difluoro-2-sulfoacetic acid (422-67-3) + difluoromethanesulfonic acid (40856-07-3) + difluoromethanesulfonyl fluoride (1554-47-8)

Guidance literature:

sodium chloride; In water; acetonitrile; at 25 ℃; for 5h; catalyst NaCl; various amounts of catalyst and solvent; different temp. and reaction times;

DOI:10.1016/S0022-1139(00)82402-1

Reference yield:

3-chlorotrifluoro-1,2-oxathietane 2,2-dioxide (1004-47-3) + water (7732-18-5) + 4-chlorotrifluoro-1,2-oxathietane 2,2-dioxide (933-29-9) → Difluoroacetic acid (381-73-7) + dichloro-acetic acid (79-43-6) + dichloro-methanesulfonic acid (53638-45-2) + difluoromethanesulfonic acid (40856-07-3)

Guidance literature:

byproducts: CO2, SO2, H2SO4; mixing with excess of water for 90 min, reflx for 16 h;

upstream raw materials:

Chlorodifluoromethane

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

Sodium difluoromethanesulfonate

difluoromethanesulfonyl fluoride

Downstream raw materials:

difluoromethylsulfonyl chloride