Sodium 4-[3-(2-Pyridinyl)-5-(4-Sulfophenyl)-1,2,4-Triazin-6-Yl]Benzenesulfonate Hydrate (1:1:1)
[CAS 63451-29-6]

Identification

• Name: Sodium 4-[3-(2-Pyridinyl)-5-(4-Sulfophenyl)-1,2,4-Triazin-6-Yl]Benzenesulfonate Hydrate (1:1:1)
• Synonyms: 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-4',4''-disulfonic acid monosodium salt hydrate; 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p′-disulfonic acid monosodium salt hydrate; 4-[3-(2-pyridyl)-5-(4-sulfophenyl)-1,2,4-triazin-6-yl]benzenesulfonic acid, oxamethane, sodium salt
• Molecular Formula: C₂₀H₁₅N₄NaO₇S₂
• Molecular Weight: 510.48
• CAS Registry Number: 63451-29-6
• SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)O.O.[Na+]
• 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/q;+1;/p-1
• InChIKey: MBOKSYFCYXIJRZ-UHFFFAOYSA-M

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin