Perfluorohexanesulfonic acid

Base Information

• Chemical Name: Perfluorohexanesulfonic acid
• CAS No.: 355-46-4
• Molecular Formula: C6H F13 O3 S
• Molecular Weight: 400.117
• Hs Code.: 2904909090
• European Community (EC) Number: 206-587-1
• UNII: ZU6Y1E592S
• DSSTox Substance ID: DTXSID7040150
• Nikkaji Number: J193.844D
• Wikipedia: Perfluorohexanesulfonic_acid
• Wikidata: Q26833878
• Metabolomics Workbench ID: 74802
• ChEMBL ID: CHEMBL1906987
• Mol file: 355-46-4.mol

Synonyms:1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-su1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;lithium perfluorohexanesulfonate;lithium tridecafluorohexane-1-sulfonate;perfluorohexane sulfonate potassium salt;perfluorohexane sulfonic acid;perfluorohexane-1-sulphonic acid;perfluorohexane-1-sulphonic acid - potassium salt;perfluorohexanesulfonic acid;PFHS cpd;PFHxS perfluorohexanesulfonic acid;potassium perfluorohexane-1-sulphonate;potassium perfluorohexanesulfonate;potassium tridecafluorohexane-1-sulfonate;sodium perfluorohexanesulfonate;sodium-perfluoro-1-hexanesulfonate

Chemical Property of Perfluorohexanesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.34±0.50(Predicted)
• Flash Point: °C
• PSA: 62.75000
• Density: 1.841g/cm³
• LogP: 4.65130
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 399.9438812
• Heavy Atom Count: 23
• Complexity: 553

Purity/Quality:

99.9% ^*data from raw suppliers

PerfluorohexanesulfonicAcid(50μg/mLinMethanol)(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• uses: Perfluorohexane sulfonate is a six-carbon compound in the perfluoroalkyl family of chemicals. Perfluorohexane sulfonate was once used in firefighting foam and carpet treatment solutions. It was once widely used by 3M as a stain and water repellent but was phased out due to U.S. Environmental Protection Agency regulations. Much like other perfluoroalkyls, PFHxS can persist in the environment.

Technology Process of Perfluorohexanesulfonic acid

There total 12 articles about Perfluorohexanesulfonic 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:

tridecafluorohexanesulfonyl fluoride (423-50-7) + sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-octyl-N-trimethylsilylsulfamide anion → (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanesulfonyl)(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexanesulfonyl)imide + perfluorohexane-1-sulfonic acid (355-46-4) + heptadecafluoro-octane-1-sulfonic acid amide (754-91-6)

Guidance literature:

tridecafluorohexanesulfonyl fluoride; sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-octyl-N-trimethylsilylsulfamide anion; In acetonitrile; for 24h; Heating;

With hydrogenchloride; In diethyl ether; Further stages.;

DOI:10.1002/hc.20452

Reference yield:

tridecafluorohexane-1-sulfonic acid potassium salt (3871-99-6) → perfluorohexane-1-sulfonic acid (355-46-4)

Guidance literature:

In water; passing over a cationic ion exchange resin, at 85°C;

Reference yield:

dimethylsulfide (75-18-3) + n-perfluorohexyl iodide (355-43-1) → perfluorohexane-1-sulfonic acid (355-46-4)

Guidance literature:

With potassium hydroxide; sodium hypochlorite; potassium permanganate; In 1,4-dioxane; water; acetic acid; sulfane synthesized by photochem. react. from iodide; sulfane converted with KMnO4 to sulfone in acetic acid; chlorination with aq. NaOCl; trichloride react with KOH in aq. dioxane;

DOI:10.1021/ja01164a089

upstream raw materials:

tridecafluorohexanesulfonyl fluoride

Methyl-tridecafluor-n-hexyl-sulfid

dimethylsulfide

n-perfluorohexyl iodide

Downstream raw materials:

triphenyltin perfluoro-n-hexanesulfonate

tridecafluorohexane-1-sulfonic acid potassium salt

Refernces

• 1、 Benfodda, Zohra,Guillen, Franck,Blancou, Hubert. "Synthesis of symmetric and dissymetric bisperfluoroalkanesulfonylimides and evaluation of their inhibition on bovine carbonic anhydrase". . p. 542 - 548. Retrieved 2008/12/22.