Perfluorobutanesulfonic acid

Base Information

• Chemical Name: Perfluorobutanesulfonic acid
• CAS No.: 375-73-5
• Deprecated CAS: 59933-66-3,749861-23-2,749861-23-2
• Molecular Formula: C4HF9O3S
• Molecular Weight: 300.102
• Hs Code.: 29049090
• European Community (EC) Number: 206-793-1,671-242-8
• UNII: 1FV02N6NVO
• DSSTox Substance ID: DTXSID5030030
• Nikkaji Number: J213.578G
• Wikipedia: Perfluorobutanesulfonic_acid
• Wikidata: Q410426
• Metabolomics Workbench ID: 74801
• ChEMBL ID: CHEMBL1198521
• Mol file: 375-73-5.mol

Synonyms:1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;1-butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluror, potassium salt;ammonium nonafluorobutane-1-sulfonate;ammonium perfluorobutanesulfonate;nonafluorobutane-1-sulfonatato;nonafluorobutanesulfonyl fluoride;perfluoro-1-butanesulfonyl fluoride;perfluorobutane sulfonate;perfluorobutane sulfonic acid;perfluorobutanesulfonate;perfluorobutanesulfonic acid;perfluorobutanesulfonyl fluoride;potassium nonafluorobutane-1-sulfonate;potassium perfluorobutane sulfonate;potassium perfluorobutanesulfonate;potassium PFBS

Chemical Property of Perfluorobutanesulfonic acid

Chemical Property:

• Vapor Pressure: 0.00472mmHg at 25°C
• Refractive Index: n20/D 1.3230(lit.)
• Boiling Point: 112-114 °C 14 mm Hg(lit.)
• PKA: -3.57±0.50(Predicted)
• Flash Point: >230 °F
• PSA: 62.75000
• Density: 1.848 g/cm³
• LogP: 3.38070
• Storage Temp.: 2-8°C
• Solubility.: Soluble in water
• Water Solubility.: 1000g/L at 20℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 299.95026852
• Heavy Atom Count: 17
• Complexity: 387

Purity/Quality:

98%, ^*data from raw suppliers

Nonafluoro-1-butanesulfonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F
• Uses: Perfluoro butyl sulfonate (PFBS, nonafluoro-1-butanesulfonic acid, perfluorobutane sulfonic acid, 1-perfluorobutane sulfonic acid) is a four-carbon compound in the perfluoroalkyl family of chemicals. It can be found in stain repellents used for carpets and furniture. A specific form of the chemical, potassium perfluorobutane sulfonate, is being used as a flame retardant in place of brominated retardants. Perfluoro butyl sulfonate is being used as a substitute for other perfluoroalkyl compounds because it is not believed to bioaccumulate in the environment. Nonafluorobutane-1-sulfonic acid can be considered as a superacid, which can be synthesized by reacting 1-iodononafluorobutane with sodium dithionite in the presence of sodium bicarbonate in acetonitrile/water. Nonafluorobutane-1-sulfonic acid may be used as catalyst in the synthesis of 6-chloro-6H-dibenz[c,e][1,2]oxaphosphorin and N-benzylpyridin-2-amine. Nonafluorobutane-1-sulfonic acid may be used as catalyst in the synthesis of 6-chloro-6H-dibenz[c,e][1,2]oxaphosphorin and N-benzylpyridin-2-amine.

Technology Process of Perfluorobutanesulfonic acid

There total 13 articles about Perfluorobutanesulfonic 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%

potassium nonaflate (29420-49-3) → perfluorobutanesulfonic acid (375-73-5,59933-66-3)

Guidance literature:

With Amberlite IR-100 (H-form) ion exchange column; In methanol;

DOI:10.1002/adsc.201000126

Reference yield: 94.0%

sodium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (60453-92-1) → perfluorobutanesulfonic acid (375-73-5,59933-66-3)

Guidance literature:

With sulfuric acid; at 120 ℃; for 0.5h;

Reference yield: 89.0%

barium perfluorobutanesulfonate → perfluorobutanesulfonic acid (375-73-5,59933-66-3)

Guidance literature:

With sulfuric acid;

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

sodium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

potassium nonaflate

Downstream raw materials:

1,10-bis-(4-hydroxy-phenyl)-decane-1,10-dione

Carbonylchlorohydrido(nonafluorbutansulfonato)bis(triphenylphosphan)iridium(III)

(P(C₆H₅)3)2IrClHCOOSO₂C₄F₉

para-nitrophenyl perfluorobutanesulfonate

Refernces

• 1、 -. "METHOD FOR RECOVERING SULFONIC ESTERS OR SULFONYL HALIDES FROM SALTS OF SULFONIC ACIDS". Paragraph 0090-0092. . Retrieved 2017/02/24.
• 2、 Scott, Peter J.H.,Campbell, Ian B.,Steel, Patrick G.. "A general method for the preparation of perfluoroalkanesulfonyl chlorides". . p. 1196 - 1201. Retrieved 2007/10/03.