Tris(4-Nitrophenyl) Phosphate
[CAS# 3871-20-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Phosphine ligand
• Name: Tris(4-Nitrophenyl) Phosphate
• Synonyms: Phosphoric Acid Tris(4-Nitrophenyl) Ester; Ai3-14997
• Molecular Formula: C₁₈H₁₂N₃O₁₀P
• Molecular Weight: 461.28
• CAS Registry Number: 3871-20-3
• EINECS: 223-389-0
• SMILES: C3=C(O[P](OC1=CC=C([N+](=O)[O-])C=C1)(OC2=CC=C([N+](=O)[O-])C=C2)=O)C=CC(=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: 1.572g/cm³ (Cal.)
• Melting point: 155°C (Expl.)
• Boiling point: 592.03°C at 760 mmHg (Cal.)
• Flash point: 311.849°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.