Dimethyl 1-(4-Nitrobenzyloxycarbonyl)-1-Propene-2-Yl Phosphate
[CAS# 64050-55-1]

Identification

• Name: Dimethyl 1-(4-Nitrobenzyloxycarbonyl)-1-Propene-2-Yl Phosphate
• Synonyms: 2-Dimethoxyphosphoryloxybut-3-Enoic Acid (4-Nitrophenyl)Methyl Ester; 2-Dimethoxyphosphoryloxybut-3-Enoic Acid (4-Nitrobenzyl) Ester; Ent 25,577
• Molecular Formula: C₁₃H₁₆NO₈P
• Molecular Weight: 345.25
• CAS Registry Number: 64050-55-1
• SMILES: C1=C(COC(=O)C(O[P](OC)(OC)=O)C=C)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C13H16NO8P/c1-4-12(22-23(18,19-2)20-3)13(15)21-9-10-5-7-11(8-6-10)14(16)17/h4-8,12H,1,9H2,2-3H3
• InChIKey: IBDLPCGZPBEDPH-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 455.806°C at 760 mmHg (Cal.)
• Flash point: 229.464°C (Cal.)