4-Sulfobenzoic acid potassium salt - ≥95% , CAS No.5399-63-3

CAS: 5399-63-3 Cat. No.: S170881 Molecular Weight: 240.27 EC Number: 226-435-8 PubChem CID: 517074

GRADE & PURITY ≥95%

Synonyms

4-SULFOBENZOICACIDMONOPOTASSIUMSALT | AKOS015889259 | 4-sulfobenzoic acid monopotassium salt | SCHEMBL11743464 | Potassium 4-carboxybenzenesulfonate | 4-Sulfobenzoic acid potassium salt | FT-0635670 | Benzoic acid, p-(potassium sulfo)- | AS-62198 | H11896

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

4-Sulfobenzoic acid potassium salt was used as intercalating compound to improve clay exfoliation in the synthesis of poly(butylene terephthalate) (PBT) nanocomposites.

Specifications

Synonyms

4-SULFOBENZOICACIDMONOPOTASSIUMSALT | AKOS015889259 | 4-sulfobenzoic acid monopotassium salt | SCHEMBL11743464 | Potassium 4-carboxybenzenesulfonate | 4-Sulfobenzoic acid potassium salt | FT-0635670 | Benzoic acid, p-(potassium sulfo)- | AS-62198 | H11896

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488189967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189967
• Canonical Smiles: C1=CC(=CC=C1C(=O)O)S(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;4-carboxybenzenesulfonate
• InChIKey: PXRJBUPXKDXDLG-UHFFFAOYSA-M
• INCHI: 1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)[O-].[K+]
• WGK Germany: 3
• PubChem CID: 517074
• Molecular Weight: 240.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives
        • Level5 Sulfobenzoic acids
          • Level6 4-sulfobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Sulfobenzoic acids
• Direct Parent: 4-sulfobenzoic acids
• Alternative Parents: Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic potassium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 240.280 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 239.949 Da
• Monoisotopic Mass: 239.949 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Dengke Li, Hongyu Jia, Fengbing Liang, Dexin Feng.  (2026)  Efficient and Sustainable Synthesis of Biobased 8-Hydroxyquinoline with the Heterogeneous Catalytic System in Aqueous Media.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c12609]