1-Bis(3-Nitrophenyl)Phosphoryl-3-Nitrobenzene
[CAS# 31638-89-8]

Identification

• Name: 1-Bis(3-Nitrophenyl)Phosphoryl-3-Nitrobenzene
• Synonyms: 1-Bis(3-Nitrophenyl)Phosphoryl-3-Nitro-Benzene; Nsc157377; Tris(3-Nitrophenyl)Phosphane Oxide
• Molecular Formula: C₁₈H₁₂N₃O₇P
• Molecular Weight: 413.28
• CAS Registry Number: 31638-89-8
• EINECS: 250-745-2
• SMILES: C1=C(C=CC=C1[P](C2=CC(=CC=C2)[N+](=O)[O-])(C3=CC(=CC=C3)[N+](=O)[O-])=O)[N+](=O)[O-]
• InChI: 1S/C18H12N3O7P/c22-19(23)13-4-1-7-16(10-13)29(28,17-8-2-5-14(11-17)20(24)25)18-9-3-6-15(12-18)21(26)27/h1-12H
• InChIKey: FWOBSCMZCLNISM-UHFFFAOYSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 648.749°C at 760 mmHg (Cal.)
• Flash point: 346.151°C (Cal.)

References

• (1): G. Jean-Noël, F. R. Fronczek and R. Isovitsch. Tris(3-nitrophenyl)phosphine oxide, Acta Cryst. (2004). E60, o1646-o1647