Dimethyl [1-(4-Chlorophenyl)-2-Nitroethyl]Malonate
[CAS# 360072-54-4]

Identification

• Name: Dimethyl [1-(4-Chlorophenyl)-2-Nitroethyl]Malonate
• Synonyms: dimethyl 2-[1-(4-chlorophenyl)-2-nitroethyl]propane-1,3-dioate; Methyl 3-(4-chlorophenyl)-2-methoxycarbonyl-4-nitrobutanoate; TL80074201
• Molecular Formula: C₁₃H₁₄ClNO₆
• Molecular Weight: 315.71
• CAS Registry Number: 360072-54-4
• SMILES: Clc1ccc(cc1)C(C[N+]([O-])=O)C(C(=O)OC)C(=O)OC
• InChI: 1S/C13H14ClNO6/c1-20-12(16)11(13(17)21-2)10(7-15(18)19)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3
• InChIKey: RYEKJAURVSKGDU-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 436.738°C at 760 mmHg (Cal.)
• Flash point: 217.931°C (Cal.)
• Refractive index: 1.53 (Cal.)