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CS-W001157 4
Total: USD 88.00

4,5-Dihydroxyisophthalaldehyde

  • CAS No. 116315-07-2

  • Cat. No. CS-0433044
  • Purity≥95%
  • MDL No.None

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

4,5-Dihydroxyisophthalaldehyde|CS-0433044

Structure of 116315-07-2

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General Information

  • CAS No. 116315-07-2
  • Cat. No. CS-0433044
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₄
  • Molecular Weight 166.13
  • Synonym(s) 4,5-dihydroxybenzene-1,3-dicarbaldehyde
  • SMILES O=CC1=CC(O)=C(O)C(C=O)=C1

Description

4,5-Dihydroxyisophthalaldehyde features two adjacent hydroxyl groups flanking a reactive aldehyde pair, enabling selective coupling in bioconjugation and polymer synthesis. This ortho-diol configuration enhances solubility and stability under standard conditions while maintaining high reactivity for nucleophilic addition.

Application

4,5-Dihydroxyisophthalaldehyde serves as a versatile bifunctional building block for the synthesis of complex heterocycles and functionalized aromatic systems. Its two aldehyde groups and adjacent hydroxyl functionalities enable efficient condensation reactions, including Schiff base formation and cyclization pathways. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for use in medicinal chemistry campaigns requiring modular scaffold construction.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   0.7228
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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