Ethyl 2-allyl-5-nitrobenzoate
[CAS# 851077-86-6]

Identification

• Name: Ethyl 2-allyl-5-nitrobenzoate
• Synonyms: 2-Allyl-5-nitro-benzoic acid ethyl; 2-Allyl-5-nitro-benzoic acid ethyl; ester; ester
• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24
• CAS Registry Number: 851077-86-6
• SMILES: [O-][N+](=O)c1ccc(c(c1)C(=O)OCC)C\C=C
• InChI: 1S/C12H13NO4/c1-3-5-9-6-7-10(13(15)16)8-11(9)12(14)17-4-2/h3,6-8H,1,4-5H2,2H3
• InChIKey: WXOYWFSQIMJAAD-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 361.352°C at 760 mmHg (Cal.)
• Flash point: 155.79°C (Cal.)
• Refractive index: 1.543 (Cal.)