p-Sulphobenzoic acid, monopotassium salt

Base Information

• Chemical Name: p-Sulphobenzoic acid, monopotassium salt
• CAS No.: 5399-63-3
• Deprecated CAS: 409345-36-4
• Molecular Formula: C7H5KO5S
• Molecular Weight: 240.278
• Hs Code.: 29161900
• European Community (EC) Number: 226-435-8
• NSC Number: 4862
• Mol file: 5399-63-3.mol

Synonyms:p-Sulphobenzoic acid, monopotassium salt;5399-63-3;NSC-4862;NSC4862

Chemical Property of p-Sulphobenzoic acid, monopotassium salt

Chemical Property:

• Appearance/Colour: White fine crystalline powder
• PSA: 102.88000
• Density: 1.62g/cm3
• LogP: 1.36970
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 240.95730095
• Heavy Atom Count: 14
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

4-Sulfobenzoic acid potassium salt 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)O.[K+]
• Uses: Potassium 4-Carboxybenzenesulfonate is used as a reactant for the synthesis of Potassium and Rubidium Arenesulfonates which shows coordination behavior towards the anions. 4-Sulfobenzoic acid potassium salt was used as intercalating compound to improve clay exfoliation in the synthesis of poly(butylene terephthalate) (PBT) nanocomposites.

Technology Process of p-Sulphobenzoic acid, monopotassium salt

There total 3 articles about p-Sulphobenzoic acid, monopotassium salt 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: 80.0%

toluene-4-sulfonic acid (104-15-4) → potassium p-carboxybenzenesulfonate (5399-63-3)

Guidance literature:

With potassium permanganate; water; potassium hydroxide; Reflux;

DOI:10.1021/acs.inorgchem.0c02969

Reference yield:

4-sulfobenzoic acid monopotassium salt → potassium p-carboxybenzenesulfonate (5399-63-3)

Guidance literature:

4-sulfobenzoic acid monopotassium salt; With ammonia; In water;

With thionyl chloride; N,N-dimethyl-formamide; for 2h; Heating / reflux;

Reference yield:

4-dodecylbenzenesulphonate → sodium p-hydroxybenzenesulfonate (825-90-1) + potassium p-carboxybenzenesulfonate (5399-63-3) + sodium 4-acetylbenzenesulfonate (61827-67-6)

Guidance literature:

With iron(III) perchlorate; In water; Quantum yield; Photolysis;

DOI:10.1016/S0045-6535(99)00434-8

upstream raw materials:

toluene-4-sulfonic acid

Downstream raw materials:

1,3-dipropyl-6-amino-5-(p-sulfobenzamido)uracil

4-chlorosulfonylbenzoyl chloride

Zn(4-sulfobenzoate)(2,2'-bipyridine)(H₂O)3*H₂O

8-(p-sulfophenyl)theophylline

Refernces

• 1、 Facchetti, Giorgio,Bucci, Raffaella,Fusè, Marco,Erba, Emanuela,Gandolfi, Raffaella,Pellegrino, Sara,Rimoldi, Isabella. "Alternative Strategy to Obtain Artificial Imine Reductase by Exploiting Vancomycin/D-Ala-D-Ala Interactions with an Iridium Metal Complex". supporting information. p. 2976 - 2982. Retrieved 2021/03/01.