Tris(4-nitrophenyl) phosphate
[CAS# 66777-94-4]

Identification

• Name: Tris(4-nitrophenyl) phosphate
• Synonyms: para-nitrophenyl phosphate; Phosphoric acid tri(4-nitrophenyl ester); Phosphoric acid, tris (4-nitrophenyl) ester
• Molecular Formula: C₁₈H₁₂N₃O₁₀P
• Molecular Weight: 461.28
• CAS Registry Number: 66777-94-4
• SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
• InChI: 1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H
• InChIKey: RZSPPBDBWOJRII-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 155°C (Expl.)
• Boiling point: 592.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 311.8±28.7°C (Cal.)

References

• (1): Alfonso Fernández-Botello, Bert P. Operschall, Antonín Holy, Virtudes Moreno and Helmut Sigel. Metal ion-binding properties of 9-[(2-phosphonomethoxy)ethyl]-2-aminopurine (PME2AP), an isomer of the antiviral nucleotide analogue 9-[(2-phosphonomethoxy)ethyl]adenine (PMEA). Steric guiding of metal ion-coordination by the purine-amino group, Dalton Trans., 2010, 39, 6344.