2,3,5,6-Tetrafluoro-4-sulfobenzoic acid

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid
• CAS No.: 125662-60-4
• Molecular Formula: C7H2F4O5S
• Molecular Weight: 274.15
• European Community (EC) Number: 678-484-3
• DSSTox Substance ID: DTXSID00600145
• Wikidata: Q82496110
• Mol file: 125662-60-4.mol

Synonyms:125662-60-4;2,3,5,6-Tetrafluoro-4-sulfobenzoic acid;4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid;Benzoic acid, 2,3,5,6-tetrafluoro-4-sulfo-;SCHEMBL7074393;DTXSID00600145;JNESNWCWZVATQY-UHFFFAOYSA-N;MFCD08276421;AKOS022171854;2,3,5,6-Tetrafluoro-4-sulfobenzoicacid;CS-0358937;S0510;T71663;A925708

Chemical Property of 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid

Chemical Property:

• PSA: 100.05000
• Density: 1.936g/cm³
• LogP: 2.26870
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 273.95590698
• Heavy Atom Count: 17
• Complexity: 391

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O

Technology Process of 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid

There total 3 articles about 2,3,5,6-Tetrafluoro-4-sulfobenzoic 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:

sodium metabisulfite + Pentafluorobenzoic acid (602-94-8) + 2,3,5,6-tetrafluoro-4-mercapto-benzoic acid (5211-44-9) → 4-sulpho-2,3,5,6-tetrafluorobenzoic acid (125662-60-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; NaSH; dihydrogen peroxide; In water; acetic acid;

Reference yield:

2,3,5,6-tetrafluoro-4-mercapto-benzoic acid (5211-44-9) → 4-sulpho-2,3,5,6-tetrafluorobenzoic acid (125662-60-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 70 ℃; for 2h;

DOI:10.1016/S0022-1139(00)80200-6

Reference yield:

Pentafluorobenzoic acid (602-94-8) → 4-sulpho-2,3,5,6-tetrafluorobenzoic acid (125662-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH, NaHS / 2 h / 70 °C

2: 978 mg / 30percent H₂O₂, AcOH / 2 h / 70 °C

With sodium hydroxide; sodium hydrogensulfide; dihydrogen peroxide; acetic acid;

DOI:10.1016/S0022-1139(00)80200-6

upstream raw materials:

2,3,5,6-tetrafluoro-4-mercapto-benzoic acid

Pentafluorobenzoic acid

Downstream raw materials:

4-(chlorosulfonyl)-2,3,5,6-tetrafluorobenzoyl chloride

ethylene glycol bis-(4-fluorosulphonyl-2,3,5,6-tetrafluorobenzoate)

methyl 4-N-phenylaminosulphonyl-2,3,5,6-tetrafluorobenzoate

4-chlorosulphonyl-2,3,5,6-tetrafluorobenzanilide

Refernces

• 1、 -. "Perfluorinated intermediates which are useful in the production of organic polymeric materials and ion-exchange membrane". . . Retrieved 2008/06/13.