Tris(4-Nitro-m-Tolyl) Phosphate
[CAS# 68527-98-0]

Identification

• Name: Tris(4-Nitro-m-Tolyl) Phosphate
• Synonyms: Tris(3-Methyl-4-Nitro-Phenyl) Phosphate; Phosphoric Acid Tris(3-Methyl-4-Nitrophenyl) Ester; Phosphoric Acid Tris(3-Methyl-4-Nitro-Phenyl) Ester
• Molecular Formula: C₂₁H₁₈N₃O₁₀P
• Molecular Weight: 503.36
• CAS Registry Number: 68527-98-0
• EINECS: 271-291-1
• SMILES: C1=C(C(=CC=C1O[P](OC2=CC=C(C(=C2)C)[N+](=O)[O-])(OC3=CC=C(C(=C3)C)[N+](=O)[O-])=O)[N+](=O)[O-])C
• InChI: 1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3
• InChIKey: SNIKDGGXGSYRMO-UHFFFAOYSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 617.129°C at 760 mmHg (Cal.)
• Flash point: 327.028°C (Cal.)