3-(Dimethoxyphosphinyloxy)-2-Butenoic Acid 2-Methyl-5-Nitrobenzyl Ester
[CAS# 64011-87-6]

Identification

• Name: 3-(Dimethoxyphosphinyloxy)-2-Butenoic Acid 2-Methyl-5-Nitrobenzyl Ester
• Synonyms: (2-Methyl-5-Nitro-Phenyl)Methyl (Z)-3-Dimethoxyphosphoryloxybut-2-Enoate; (Z)-3-Dimethoxyphosphoryloxybut-2-Enoic Acid (2-Methyl-5-Nitrophenyl)Methyl Ester; (Z)-3-Dimethoxyphosphoryloxybut-2-Enoic Acid (2-Methyl-5-Nitro-Benzyl) Ester
• Molecular Formula: C₁₄H₁₈NO₈P
• Molecular Weight: 359.27
• CAS Registry Number: 64011-87-6
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1COC(=O)/C=C(O[P](OC)(OC)=O)/C)C
• InChI: 1S/C14H18NO8P/c1-10-5-6-13(15(17)18)8-12(10)9-22-14(16)7-11(2)23-24(19,20-3)21-4/h5-8H,9H2,1-4H3/b11-7-
• InChIKey: CPUQGBCWXDZNIZ-XFFZJAGNSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 459.486°C at 760 mmHg (Cal.)
• Flash point: 231.689°C (Cal.)