Malonic Acid Bis(4-Nitrobenzyl) Ester
[CAS# 67245-85-6]

Identification

• Name: Malonic Acid Bis(4-Nitrobenzyl) Ester
• Synonyms: Propanedioic Acid Bis[(4-Nitrophenyl)Methyl] Ester; Malonic Acid Bis(4-Nitrobenzyl) Ester; Bis(4-Nitrobenzyl) Malonate
• Molecular Formula: C₁₇H₁₄N₂O₈
• Molecular Weight: 374.31
• CAS Registry Number: 67245-85-6
• SMILES: C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
• InChI: 1S/C17H14N2O8/c20-16(26-10-12-1-5-14(6-2-12)18(22)23)9-17(21)27-11-13-3-7-15(8-4-13)19(24)25/h1-8H,9-11H2
• InChIKey: RBVOYZBIDZCDBO-UHFFFAOYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Melting point: 89°C (Expl.)
• Boiling point: 544.248°C at 760 mmHg (Cal.)
• Flash point: 227.87°C (Cal.)