Perfluorohexanesulfonamide

Base Information

• Chemical Name: Perfluorohexanesulfonamide
• CAS No.: 41997-13-1
• Molecular Formula: C6H2F13NO2S
• Molecular Weight: 399.133
• Hs Code.: 2935009090
• European Community (EC) Number: 816-398-1
• ChEMBL ID: CHEMBL1087373
• DSSTox Substance ID: DTXSID50469320
• Nikkaji Number: J1.206.764J
• Wikidata: Q81986026
• Mol file: 41997-13-1.mol

Synonyms:Perfluorohexanesulfonamide;41997-13-1;FHxSA;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide;SODIUM PERFLUOROHEXANESULFONAMIDE;Perfluorhexansulfonamid;starbld0016664;Perfluorohexane sulfonamide;perfluoro-1-hexanesulfonamide;SCHEMBL4937413;CHEMBL1087373;perfluorohexane sulfonamide, n=6;DTXSID50469320;WDZLGCSJJWEQJO-UHFFFAOYSA-N;Perfluorohexanesulfonamide (~75%);MFCD09263736;AKOS025310338;TRIDECAFLUOROHEXANE-1-SULFONAMIDE;NS00010964

Chemical Property of Perfluorohexanesulfonamide

Chemical Property:

• PSA: 68.54000
• LogP: 4.75230
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 398.9598656
• Heavy Atom Count: 23
• Complexity: 556

Purity/Quality:

98%Min ^*data from raw suppliers

Perfluorohexanesulfonamide(~75%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

Technology Process of Perfluorohexanesulfonamide

There total 2 articles about Perfluorohexanesulfonamide 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:

sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexyl-N-trimethylsilylsulfamide anion + Nonafluorobutanesulfonyl fluoride (375-72-4) → perfluorobutanesulfonic acid (375-73-5,59933-66-3) + 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexane-1-sulfonamide (41997-13-1) + (1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexanesulfonyl)(1,1,2,2,3,3,4,4,4-nonafluorobutanesulfonyl)imide

Guidance literature:

sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexyl-N-trimethylsilylsulfamide anion; Nonafluorobutanesulfonyl fluoride; In acetonitrile; for 24h; Heating;

With hydrogenchloride; In diethyl ether; Further stages.;

DOI:10.1002/hc.20452

Reference yield:

sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexyl-N-trimethylsilylsulfamide anion + tridecafluorohexanesulfonyl fluoride (423-50-7) → bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexanesulfonyl)imide + perfluorohexane-1-sulfonic acid (355-46-4) + 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexane-1-sulfonamide (41997-13-1)

Guidance literature:

sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexyl-N-trimethylsilylsulfamide anion; tridecafluorohexanesulfonyl fluoride; In acetonitrile; for 24h; Heating;

With hydrogenchloride; In diethyl ether; Further stages.;

DOI:10.1002/hc.20452

Reference yield: 90.0%

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-hexane-1-sulfonamide (41997-13-1) → sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexanesulfonamide

Guidance literature:

With sodium methylate; In methanol; diethyl ether; Inert atmosphere; Reflux;

DOI:10.1016/j.ejmech.2009.11.052

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

tridecafluorohexanesulfonyl fluoride

Refernces