Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
[CAS# 891782-57-3]

Identification

• Name: Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
• Synonyms: 4-(2-Éthoxy-2-oxoéthyl)-3-nitrobenzoate d'éthyle; Benzeneacetic acid, 4-(ethoxycarbonyl)-2-nitro-, ethyl ester; BENZENEACETIC ACID,4-(ETHOXYCARBONYL)-2-NITRO-, ETHYL ESTER
• Molecular Formula: C₁₃H₁₅NO₆
• Molecular Weight: 281.26
• CAS Registry Number: 891782-57-3
• SMILES: CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])C(=O)OCC
• InChI: 1S/C13H15NO6/c1-3-19-12(15)8-9-5-6-10(13(16)20-4-2)7-11(9)14(17)18/h5-7H,3-4,8H2,1-2H3
• InChIKey: SKZKACZIGOSXQL-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 394.7±32.0°C at 760 mmHg (Cal.)
• Flash point: 162.9±27.1°C (Cal.)
• Refractive index: 1.533 (Cal.)