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CS-W001157 4
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5,5'-(Anthracene-9,10-diyl)diisophthalic acid

  • CAS No. 422269-95-2

  • Cat. No. CS-0110032
  • Purity≥95%
  • MDL No.MFCD31700771

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

5,5'-(Anthracene-9,10-diyl)diisophthalic acid|CS-0110032

Structure of 422269-95-2

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General Information

  • CAS No. 422269-95-2
  • Cat. No. CS-0110032
  • Purity ≥95%
  • MDL No. MFCD31700771
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₁₈O₈
  • Molecular Weight 506.47
  • Synonym(s) Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)
  • SMILES O=C(O)C=1C=C(C=C(C1)C2=C3C=CC=CC3=C(C=4C=C(C=C(C4)C(=O)O)C(=O)O)C=5C=CC=CC52)C(=O)O

Description

This anthracene-based diacid features a rigid, planar core that enables strong π-π stacking and enhances charge transport. The two isophthalic acid moieties provide high functionality for metal coordination and polymer integration. Designed for use in porous materials and optoelectronic devices, the molecule offers excellent thermal stability and facilitates precise structural control in framework assembly.

Application

5,5'-(Anthracene-9,10-diyl)diisophthalic acid serves as a robust, multi-functional building block for constructing extended π-conjugated architectures. Its rigid anthracene core flanked by two isophthalic acid units enables efficient coordination in metal-organic frameworks and facilitates Diels-Alder cycloadditions. The carboxylic acid groups offer versatile handles for amide coupling, esterification, and polymerization, supporting applications in materials science and supramolecular chemistry with excellent bench stability and straightforward purification.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   149.2
  • LogP   6.1198
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   6

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