Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate
[CAS# 100796-42-7]

Identification

• Name: Dimethyl [2-Nitro-1-(4-Nitrophenyl)Ethyl]Malonate
• Synonyms: Propanedioic acid, 2-[2-nitro-1-(4-nitrophenyl)ethyl]-, 1,3-dimethyl ester; TL80074198
• Molecular Formula: C₁₃H₁₄N₂O₈
• Molecular Weight: 326.26
• CAS Registry Number: 100796-42-7
• SMILES: O=C(OC)C(C(=O)OC)C(c1ccc(cc1)[N+]([O-])=O)C[N+]([O-])=O
• InChI: 1S/C13H14N2O8/c1-22-12(16)11(13(17)23-2)10(7-14(18)19)8-3-5-9(6-4-8)15(20)21/h3-6,10-11H,7H2,1-2H3
• InChIKey: KXHGLPKCSJTILD-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 480.572°C at 760 mmHg (Cal.)
• Flash point: 206.76°C (Cal.)
• Refractive index: 1.545 (Cal.)