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CS-W001157 4
Total: USD 88.00

4,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid

  • CAS No. 63557-10-8

  • Cat. No. CS-0110055
  • Molecule weight486.44
  • Purity≥95%
  • MDL No.MFCD01232264

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

4,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid|CS-0110055

Structure of 63557-10-8

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General Information

  • CAS No. 63557-10-8
  • Cat. No. CS-0110055
  • Purity ≥95%
  • MDL No. MFCD01232264
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₁₈N₆O₆
  • Molecular Weight 486.44
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C=C1)NC=2N=C(N=C(N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O

Description

This triazine-tricarboxylic acid features three benzoic acid arms linked through a central 1,3,5-triazine core, enabling multidentate coordination in supramolecular architectures. The electron-deficient triazine ring enhances binding affinity in metal-organic frameworks and functionalized surfaces.

Application

4,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid serves as a versatile tri-functional building block for constructing extended π-conjugated architectures. Its three carboxylic acid groups enable robust coupling reactions with amines and alcohols under standard conditions, while the central 1,3,5-triazine core provides excellent thermal stability and electron-withdrawing character. The molecule functions effectively in modular synthesis of multi-chromophoric systems and metal-organic frameworks, offering predictable reactivity and ease of purification due to high crystallinity and defined solubility profiles.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   186.66
  • LogP   4.197
  • H_Acceptors   9
  • H_Donors   6
  • Rotatable_Bonds   9

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