(E,E)-1,1'-(3,3'-Dimethoxy-4,4'-Biphenyldiyl)Bis({(Z)-(4-Nitrophenyl)[(4-Nitrophenyl)Hydrazono]Methyl}Diazene)
[CAS# 19333-63-2]

Identification

• Name: (E,E)-1,1'-(3,3'-Dimethoxy-4,4'-Biphenyldiyl)Bis({(Z)-(4-Nitrophenyl)[(4-Nitrophenyl)Hydrazono]Methyl}Diazene)
• Synonyms: TNBT Diformazan
• Molecular Formula: C₄₀H₃₀N₁₂O₁₀
• Molecular Weight: 838.74
• CAS Registry Number: 19333-63-2
• SMILES: COc1c(ccc(c1)c2cc(c(cc2)/N=N/C(=N\Nc3ccc(cc3)[N+](=O)[O-])/c4ccc(cc4)[N+](=O)[O-])OC)/N=N/C(=N\Nc5ccc(cc5)[N+](=O)[O-])/c6ccc(cc6)[N+](=O)[O-]
• InChI: 1S/C40H30N12O10/c1-61-37-23-27(7-21-35(37)43-47-39(25-3-13-31(14-4-25)49(53)54)45-41-29-9-17-33(18-10-29)51(57)58)28-8-22-36(38(24-28)62-2)44-48-40(26-5-15-32(16-6-26)50(55)56)46-42-30-11-19-34(20-12-30)52(59)60/h3-24,41-42H,1-2H3/b45-39-,46-40-,47-43+,48-44+
• InChIKey: SDKSRZQMARNUEW-FOJIDQNJSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 980.865°C at 760 mmHg (Cal.)
• Flash point: 547.008°C (Cal.)
• Refractive index: 1.698 (Cal.)