HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12379645Generated: November 4, 2026
4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(benzoic acid)
H3TATAB · DK7634 · DK7257 · SKL106 · 2,4,6-Tris[(p-carboxyphenyl)amino]-1,3,5-triazine · Benzoic acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris- · 4-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid · 4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid
https://huagongshe.com/en/chemical/12379645
Identifiers & Physical Properties
| CAS No. | 63557-10-8 |
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| Molecular formula | C24H18N6O6 |
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| Average molar mass | 486.4 g/mol |
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| Monoisotopic mass | 486.12878232 g/mol |
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| SMILES | O=C(O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)O)cc3)n2)cc1 |
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| InChIKey | NGJJZCPADSICRI-UHFFFAOYSA-N |
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| PubChem CID | 12379645 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 187 |
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| Hydrogen bond donors | 6 |
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| Hydrogen bond acceptors | 12 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 650 |
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| Melting point | >330℃ (decomposition) (isopropanol ) |
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| Boiling point | 830.5±75.0 °C(Predicted) |
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| Density | 1.595±0.06 g/cm3(Predicted) |
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| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (acidity coefficient) | 3.97±0.10(Predicted) |
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| Appearance | Off-white to light brown Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
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