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CS-W001157 4
Total: USD 88.00

4,6-Dihydroxybenzene-1,3-dicarboxylic acid

  • CAS No. 19829-74-4

  • Cat. No. CS-0060125
  • Purity≥98%
  • MDL No.MFCD08693472

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

4,6-Dihydroxybenzene-1,3-dicarboxylic acid|CS-0060125

Structure of 19829-74-4

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General Information

  • CAS No. 19829-74-4
  • Cat. No. CS-0060125
  • Purity ≥98%
  • MDL No. MFCD08693472
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₆
  • Molecular Weight 198.13
  • Synonym(s) 4,6-Dihydroxyisophthalic acid
  • SMILES O=C(O)C=1C=C(C(=O)O)C(O)=CC1O

Description

4,6-Dihydroxybenzene-1,3-dicarboxylic acid features two hydroxyl groups and two carboxylic acid functionalities arranged in a symmetric pattern on the benzene ring. This configuration enables robust coordination with metal ions, facilitating its use in metal-organic framework synthesis and chelation chemistry. The molecule exhibits enhanced solubility in polar solvents due to its multiple hydrogen-bonding sites, supporting applications in supramolecular assembly and functional material design.

Application

4,6-Dihydroxybenzene-1,3-dicarboxylic acid serves as a versatile building block in the synthesis of complex heterocyclic systems and bioactive scaffolds. Its ortho-dihydroxy and carboxylic acid functionalities enable selective derivatization, including metal chelation, esterification, and cyclization reactions. The molecule exhibits good bench stability and facilitates straightforward purification via recrystallization or chromatography, supporting its use in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      108-46-3
    • ~99%
    • In-stock
      4,6-Dihydroxybenzene-1,3-dicarboxylic acid|CS-0060125
      19829-74-4

    References

    • Mueller, Rudolf; Li, Yong-Xin; Hampson, Aidan; Zhong, Sheng; Harris, Clayton; Marrs, Christopher; Rachwal, Stanislaw; Ulas, Jolanta; Nielsson, Lena; Rogers, Gary Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 13 p. 3923 - 3926
  • Route2
    • null|null
      108-46-3
    • ~46%
    • In-stock
      4,6-Dihydroxybenzene-1,3-dicarboxylic acid|CS-0060125
      19829-74-4

    References

    • Zeng, Huaqiang; Miller, Rebecca S.; Flowers II, Robert A.; Gong, Bing Journal of the American Chemical Society, 2000 , vol. 122, # 11 p. 2635 - 2644
  • Route3
    • 4,6-Dimethoxyisophthalic acid|CS-0331256
      7168-99-2
    • ~%
    • In-stock
      4,6-Dihydroxybenzene-1,3-dicarboxylic acid|CS-0060125
      19829-74-4

    References

    • J. Mysore Univ., , vol. 6, p. 96 Biochemical Journal, , vol. 26, p. 441,444, 445

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   115.06
  • LogP   0.4942
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   2

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