n-Butanesulfonyl fluoride

Base Information

• Chemical Name: n-Butanesulfonyl fluoride
• CAS No.: 660-12-8
• Molecular Formula: C4H9 F O2 S
• Molecular Weight: 140.179
• Hs Code.: 2904909090
• European Community (EC) Number: 809-784-6
• NSC Number: 176017
• DSSTox Substance ID: DTXSID20216207
• Nikkaji Number: J42.947C
• Wikidata: Q83092397
• Mol file: 660-12-8.mol

Synonyms:butane-1-sulfonyl fluoride;n-Butanesulfonyl fluoride;660-12-8;1-BUTANESULFONYL FLUORIDE;n-Butanesulphonyl fluoride;Butanesulfonyl Fluoride;NSC 176017;BRN 1748740;4-04-00-00044 (Beilstein Handbook Reference);butylsulfonyl-fluoride;butane-1-sulfonylfluoride;WLN: WSF4;C4H9FO2S;SCHEMBL1294352;1-Butanesulfonyl fluoride, 95%;DTXSID20216207;C4-H9-F-O2-S;NSC176017;AKOS006237619;AT26975;ES-2123;NSC-176017;LS-45994;EN300-53662

Chemical Property of n-Butanesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Boiling Point: 181.7°C at 760 mmHg
• Flash Point: 63.7°C
• PSA: 42.52000
• Density: 1.158g/cm³
• LogP: 2.16660
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.03072886
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99.3% ^*data from raw suppliers

Butane-1-SulfonylFluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)(=O)F
• Uses: Butane-1-Sulfonyl Fluoride is used in preparation method of Perfluorosulfonyl Fluoride resin.

Technology Process of n-Butanesulfonyl fluoride

There total 3 articles about n-Butanesulfonyl 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: 87.2%

perfluoro-1-butanesulfonyl fluoride (2386-60-9) → n-butyl sulfonyl fluoride (660-12-8)

Guidance literature:

With ethyl 1-butanesulfonate; hydrogen fluoride; In ethanol; at 80 ℃; for 8h;

Reference yield:

perfluoro-1-butanesulfonyl fluoride (2386-60-9) + benzyltriphenylphosphonium chloride (1100-88-5) → n-butyl sulfonyl fluoride (660-12-8)

Guidance literature:

With potassium fluoride; In water;

Reference yield:

→ n-butyl sulfonyl fluoride (660-12-8)

Guidance literature:

Entspr. Bromid, NaF;

upstream raw materials:

perfluoro-1-butanesulfonyl fluoride

benzyltriphenylphosphonium chloride

Downstream raw materials:

Nonafluorobutanesulfonyl fluoride

2-(Butane-1-sulfonyl)-1,4-dimethyl-benzene

Refernces

• 1、 -. "N-oxide of perfluorobutylsulfonyl(3-dimethylaminopropyl)amine as well as preparation method and application thereof". Paragraph 0022; 0024; 0028; 0032. . Retrieved 2021/01/12.
• 2、 -. "Process for preparing sulfonic acid fluorides". . . Retrieved 2008/06/13.