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CS-W001157 4
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Sodium 3,5-dicarboxybenzenesulfonate

  • CAS No. 6362-79-4

  • Cat. No. CS-W014045
  • Molecule weight268.17
  • Purity≥98%
  • MDL No.MFCD00007495

*For research and further manufacturing use only, not for direct human use.

Sodium 3,5-dicarboxybenzenesulfonate|CS-W014045

Structure of 6362-79-4

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General Information

  • CAS No. 6362-79-4
  • Cat. No. CS-W014045
  • Purity ≥98%
  • MDL No. MFCD00007495
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NaO₇S
  • Molecular Weight 268.17
  • Synonym(s) Sodium 5-Sulfoisophthalate
  • SMILES O=S(C1=CC(C(O)=O)=CC(C(O)=O)=C1)([O-])=O.[Na+]

Description

5-Sulfoisophthalic acid sodium salt is a sulfonate carboxylate ligand which can be used in a variety of applications such as catalysis, gas storage, magnetic materials, and luminescence.

Application

Sodium 3,5-dicarboxybenzenesulfonate serves as a versatile building block in the synthesis of functionalized aromatic scaffolds, enabling efficient access to substituted benzenesulfonic acid derivatives. Its dual carboxylate and sulfonate functionalities provide enhanced solubility and stability, facilitating purification and handling in aqueous media. The compound functions effectively in coupling reactions and heterocycle formation, offering predictable reactivity under standard synthetic conditions.

Synthesis

  • Route1

    References

    • OSTER, Timothy Patent: WO2013/25784 A2, 2013 ; Location in patent: Paragraph 0058; 0059 ;
  • Route2

    References

    • WO2013/25784 A2, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   131.8
  • LogP   -3.0089
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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