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CS-W001157 4
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5-Ethynyl-1,3-benzenedicarboxylic acid

  • CAS No. 432025-97-3

  • Cat. No. CS-0110482
  • Molecule weight190.15
  • Purity≥98%
  • MDL No.MFCD14635840

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

5-Ethynyl-1,3-benzenedicarboxylic acid|CS-0110482

Structure of 432025-97-3

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General Information

  • CAS No. 432025-97-3
  • Cat. No. CS-0110482
  • Purity ≥98%
  • MDL No. MFCD14635840
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆O₄
  • Molecular Weight 190.15
  • Synonym(s) 5-Ethynylisophthalic acid
  • SMILES O=C(O)C1=CC(C#C)=CC(=C1)C(=O)O

Description

5-Ethynyl-1,3-benzenedicarboxylic acid features a rigid aromatic core with two carboxylic acid groups flanking an ethynyl substituent. This configuration enables efficient conjugation and metal coordination, making it valuable for constructing functionalized scaffolds in materials chemistry and bioconjugation applications. The terminal alkyne supports click chemistry integration under mild conditions.

Application

5-Ethynyl-1,3-benzenedicarboxylic acid serves as a versatile building block for conjugated systems and heterocyclic synthesis. The terminal alkyne moiety enables reliable copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the two carboxylic acid groups provide sites for amidation, esterification, or metal coordination. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for modular synthesis of functionalized scaffolds in medicinal chemistry and materials science applications.

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   74.6
  • LogP   1.0643
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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