(2E)-2-(3-Nitrobenzylidene)Butanoic Acid
[CAS# 124525-55-9]

Identification

• Name: (2E)-2-(3-Nitrobenzylidene)Butanoic Acid
• Synonyms: (2E)-2-ethyl-3-(3-nitrophenyl)prop-2-enoic acid; 2-(3-nitrobenzylidene)butanoic acid; 2/1/5253
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.21
• CAS Registry Number: 124525-55-9
• SMILES: CC/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)O
• InChI: 1S/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-6+
• InChIKey: QMUHBYNLXQHZNR-RMKNXTFCSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 138-142°C (Expl.)
• Boiling point: 381.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 164.2±11.6°C (Cal.)
• Refractive index: 1.617 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT