2-(2-Nitro-1-Phenylethyl)-Propanedioic Acid 1,3-Diethyl Ester
[CAS# 22975-21-9]

Identification

• Name: 2-(2-Nitro-1-Phenylethyl)-Propanedioic Acid 1,3-Diethyl Ester
• Synonyms: Diethyl 2-(2-Nitro-1-Phenyl-Ethyl)Propanedioate; 2-(2-Nitro-1-Phenylethyl)Propanedioic Acid Diethyl Ester; 2-(2-Nitro-1-Phenyl-Ethyl)Malonic Acid Diethyl Ester
• Molecular Formula: C₁₅H₁₉NO₆
• Molecular Weight: 309.32
• CAS Registry Number: 22975-21-9
• SMILES: C1=C(C(C[N+]([O-])=O)C(C(OCC)=O)C(OCC)=O)C=CC=C1
• InChI: 1S/C15H19NO6/c1-3-21-14(17)13(15(18)22-4-2)12(10-16(19)20)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
• InChIKey: VQKSJEVJSPWVIE-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 432.295°C at 760 mmHg (Cal.)
• Flash point: 171.778°C (Cal.)