Description

4,4′,4”-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid (CAS No. 63557-10-8) is a high-purity organic compound with the molecular formula C₂₄H₁₈N₆O₆. This triazine-based derivative features three benzoic acid groups linked via amino bridges to a central 1,3,5-triazine core, making it a versatile building block for supramolecular chemistry, metal-organic frameworks (MOFs), and polymer synthesis. Its rigid, symmetrical structure enables precise molecular design for advanced materials research, including coordination polymers and luminescent materials. Suitable for laboratory use only, this product is provided as a fine powder with ≥95% purity (HPLC) and is ideal for researchers exploring functional materials, catalysts, or organic electronics. Store in a cool, dry place away from light and moisture to ensure stability.

Properties

• CAS Number: 63557-10-8
• Complexity: 650
• IUPAC Name: 4-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
• InChI: InChI=1S/C24H18N6O6/c31-19(32)13-1-7-16(8-2-13)25-22-28-23(26-17-9-3-14(4-10-17)20(33)34)30-24(29-22)27-18-11-5-15(6-12-18)21(35)36/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H3,25,26,27,28,29,30)
• InChI Key: NGJJZCPADSICRI-UHFFFAOYSA-N
• Exact Mass: 486.12878232
• Molecular Formula: C24H18N6O6
• Molecular Weight: 486.4
• SMILES: C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)C(=O)O
• Topological: 187
• Monoisotopic Mass: 486.12878232
• Synonyms: 63557-10-8, 4,4′,4”-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid, 4-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid, MFCD01232264, 2,4,6-Tris[(p-carboxyphenyl)amino]-1,3,5-triazine, NF3PV7RS6L, 4,4′,4”-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoicacid, YSZC255, SCHEMBL1023029, SCHEMBL7534587, 4,4,4-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid, SB73680, BS-49981, SY327001, CS-0110055, D82792, 4,4′,4”-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzoic acid], 4,4 inverted exclamation mark ,4 inverted exclamation mark inverted exclamation mark -[(1,3,5-Triazine-2,4,6-triyl)tris(azanediyl)]tribenzoic Acid

This compound serves as a key ligand in the synthesis of porous coordination polymers due to its trifunctional carboxylic acid groups. Researchers utilize it in the development of novel MOFs for gas storage or separation applications. Its structural rigidity also makes it valuable in designing organic semiconductors and photoactive materials. Additionally, it has been explored in supramolecular self-assembly studies for nanotechnology applications.

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