4，4’-Bis(2-sulfostyryl)biphenyl Disodium - ≥97%(HPLC) , CAS No.27344-41-8

CAS: 27344-41-8 Cat. No.: B136527 Molecular Weight: 562.56 EC Number: 248-421-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

Sodium 2,2'-([1,1'-biphenyl]-4,4'-diylbis(ethene-2,1-diyl))dibenzenesulfonate | 4,4'-Bis(2-sulfonatostyryl)biphenyl Disodium Salt | Disodium 4,4'-Bis(2-sulfonatostyryl)biphenyl

Storage

Room temperature

Shipped In

Normal

Overview

Application：

A fluorescent whitening agent used for household goods. The structure of a photodegradation product of 4,4'-Bis(2-sulfostyryl)biphenyl Na salt was determined to be 4-(4-Formylphenyl)stilbene-2'-sulfonic acid, which was biodegradable.

Specifications

Synonyms

Sodium 2, 2'-([1, 1'-biphenyl]-4, 4'-diylbis(ethene-2, 1-diyl))dibenzenesulfonate | 4, 4'-Bis(2-sulfonatostyryl)biphenyl Disodium Salt | Disodium 4, 4'-Bis(2-sulfonatostyryl)biphenyl

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488195372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195372
• Canonical Smiles: C1=CC=C(C(=C1)C=CC2=CC=C(C=C2)C3=CC=C(C=C3)C=CC4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-[(E)-2-[4-[4-[(E)-2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
• InChIKey: PMPJQLCPEQFEJW-HPKCLRQXSA-L
• INCHI: 1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b19-13+,20-14+
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• Alternate CAS: 56776-28-4
• Molecular Weight: 562.56
• Reaxy-Rn: 7109224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7109224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Biphenyls and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonated stilbene - Biphenyl - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic sodium salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.
• 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: DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): ＞300℃
• Molecular Weight: 562.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 562.05 Da
• Monoisotopic Mass: 562.05 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 852.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Ji Ming-Jun, Zhao Wen-Long, Li Meng, Chen Chuan-Feng.  (2025)  Circularly polarized luminescence with high dissymmetry factors for achiral organic molecules in solutions.  Nature Communications,  16  (1): (1-10).  [PMID:40133332] [10.1038/s41467-025-58355-8]