Disodium Diphenylsulfone-4,4'-dichloro-3,3'-disulfonate - ≥98%(HPLC) , CAS No.51698-33-0

CAS: 51698-33-0 Cat. No.: D154562 Molecular Weight: 491.23 EC Number: 685-971-4 PubChem CID: 12589443

GRADE & PURITY ≥98%(HPLC)

Synonyms

Disodium bis(4-chloro-3-sulfophenyl)sulfone | Sodium5,5'-sulfonylbis(2-chlorobenzenesulfonate) | Disodium 3,3'-sulfonylbis(6-chlorobenzene-1-sulfonate) | Disodium Diphenylsulfone-4,4-dichloro-3,3-disulfonate | Disodium bis(4-chloro-3-sulfophenyl)sulfone,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Disodium bis(4-chloro-3-sulfophenyl)sulfone (SDCDPS) is a hydrophilic sulfonic monomer, which can be synthesized by electrophilic aromatic substitution by sulfonating the 4,4′-dichlorodiphenyl sulfone (DCDPS) monomer.
SDCDPS can be used in the formation of a sulfonated membrane for the fabrication of proton exchange membrane fuel cells. It can also be used in the synthesis of a stable solid acid catalyst for esterification.

Specifications

Synonyms

Disodium bis(4-chloro-3-sulfophenyl)sulfone | Sodium5, 5'-sulfonylbis(2-chlorobenzenesulfonate) | Disodium 3, 3'-sulfonylbis(6-chlorobenzene-1-sulfonate) | Disodium Diphenylsulfone-4, 4-dichloro-3, 3-disulfonate | Disodium bis(4-chloro-3-sulfophenyl)sulfone,

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488198162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198162
• Canonical Smiles: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+]
• IUPAC Name: disodium;2-chloro-5-(4-chloro-3-sulfonatophenyl)sulfonylbenzenesulfonate
• InChIKey: KKEBUZUONXHUNE-UHFFFAOYSA-L
• INCHI: 1S/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+]
• PubChem CID: 12589443
• Molecular Weight: 491.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Aryl chlorides Sulfones Organosulfonic acids Organic metal halides Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfone - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organosulfur compound - Organochloride - Organohalogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Flash Point(°C): >300 °C
• Melt Point(°C): >300 °C
• Molecular Weight: 491.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 489.84 Da
• Monoisotopic Mass: 489.84 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 702.000
• 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: 3

XLogP3

References

1. Jinhuan Jiang, Chenyang Shi, Lixin Song, Pinfan Du, Wen Guo, Jie Xiong.  (2024)  Regulation of SnO2 ETL by Diphenylsulfone for highly efficient MAPbI3 based PSCs over 21.2% in open Air.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2024.105155]