4,7-Bis(Phenylsulfonyl)-2,1,3-Benzoxadiazole
[CAS 53619-77-5]

Identification

• Name: 4,7-Bis(Phenylsulfonyl)-2,1,3-Benzoxadiazole
• Synonyms: 4,7-Bis[(4-Methylphenyl)Sulfonyl]-1-Oxido-Benzofurazan-1-Ium; Nsc 228135; Benzofurazan, 4,7-Bis[(4-Methylphenyl)Sulfonyl]-, 1-Oxide
• Molecular Formula: C₂₀H₁₆N₂O₆S₂
• Molecular Weight: 444.48
• CAS Registry Number: 53619-77-5
• SMILES: C1=CC(=CC=C1C)[S](=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])[S](=O)(=O)C4=CC=C(C=C4)C
• InChI: 1S/C20H16N2O6S2/c1-13-3-7-15(8-4-13)29(24,25)17-11-12-18(20-19(17)21-28-22(20)23)30(26,27)16-9-5-14(2)6-10-16/h3-12H,1-2H3
• InChIKey: KYPKSNSADFFYFW-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 678.864°C at 760 mmHg (Cal.)
• Flash point: 364.364°C (Cal.)