Ethyl 4-nitrocinnamate

• Catalog Number: ACM953264
• Product Name: Ethyl 4-nitrocinnamate
• CAS: 953-26-4
• Category: Heterocyclic Organic Compound
• Synonyms: 2-[(4-Nitrophenyl)methylidene]butanoate
• IUPAC Name: Ethyl (E)-3-(4-nitrophenyl)prop-2-enoate
• Molecular Weight: 221.21
• Molecular Formula: C₁₁H₁₁NO₄
• Canonical SMILES: CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
• InChI: InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
• InChI Key: PFBQVGXIMLXCQB-VMPITWQZSA-N
• Boiling Point: 362.26 °C
• Melting Point: 138-140 °C
• Flash Point: 141ºC
• Density: 0.87 g/cm³ at 20 °C(lit.)
• Appearance: Yellow powder.
• Exact Mass: 221.06880783
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Isomeric SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
• Monoisotopic Mass: 221.06880783
• Physical State: Crystalline powder
• Refractive Index: n20/D 1.520(lit.)
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 72.1 Ų
• WGK Germany: 3