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CAS 63451-29-6

:

Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate

Description:
Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate, commonly referred to by its CAS number 63451-29-6, is a complex organic compound characterized by its sulfonic acid functional group and a triazine moiety. This substance typically appears as a white to off-white crystalline solid, which is soluble in water due to the presence of the sodium salt and the hydrophilic nature of the sulfonic acid group. It exhibits properties such as moderate stability under standard conditions, and its structure suggests potential applications in pharmaceuticals, agrochemicals, or as a reagent in organic synthesis. The presence of the pyridine and triazine rings may impart specific biological activities or enhance interactions with other chemical entities. As with many sulfonic acids, it may also exhibit acidic behavior, contributing to its reactivity in various chemical environments. Proper handling and storage are essential, as with all chemical substances, to ensure safety and maintain its integrity.
Formula:C20H14N4O6S2·H2O·Na
InChI:InChI=1S/C20H14N4O6S2.Na.H2O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;1H2
InChI key:InChIKey=TXAJQBKMPKPCAD-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=CC=C(C=2C(=NN=C(N2)C3=CC=CC=N3)C4=CC=C(S(=O)(=O)O)C=C4)C=C1.[Na].O
Synonyms:
  • Benzenesulfonic acid, 4,4′-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-, monosodium salt, monohydrate
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