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

CAS: 27344-41-8 Cat. No.: B136527 Peso molecular: 562.56 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488195372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195372
• Sonrisas canónicas: 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+
• Isómeros 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+]
• CAS alternativo: 56776-28-4
• Peso molecular: 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
    • Clase Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): ＞300℃
• Peso molecular: 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

Referencias

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]