3-(Dimethoxyphosphinyloxy)-2-Butenoic Acid alpha-Methyl-3-Nitrobenzyl Ester
[CAS# 64011-86-5]

Identification

• Name: 3-(Dimethoxyphosphinyloxy)-2-Butenoic Acid alpha-Methyl-3-Nitrobenzyl Ester
• Synonyms: (Z)-3-Dimethoxyphosphoryloxybut-2-Enoic Acid 1-(3-Nitrophenyl)Ethyl Ester; 1-(3-Nitrophenyl)Ethyl 3-((Dimethoxyphosphinyl)Oxy)-2-Butenoate; 2-Butenoic Acid, 3-((Dimethoxyphosphinyl)Oxy)-, 1-(3-Nitrophenyl)Ethyl Ester
• Molecular Formula: C₁₄H₁₈NO₈P
• Molecular Weight: 359.27
• CAS Registry Number: 64011-86-5
• SMILES: C1=C(C(OC(=O)/C=C(O[P](OC)(OC)=O)/C)C)C=CC=C1[N+]([O-])=O
• InChI: 1S/C14H18NO8P/c1-10(23-24(19,20-3)21-4)8-14(16)22-11(2)12-6-5-7-13(9-12)15(17)18/h5-9,11H,1-4H3/b10-8-
• InChIKey: NKBJXXXGNDOQSJ-NTMALXAHSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 421.52°C at 760 mmHg (Cal.)
• Flash point: 208.728°C (Cal.)