alpha-Ethyl-3-Nitrocinnamic Acid
[CAS# 5253-02-1]

Identification

• Name: alpha-Ethyl-3-Nitrocinnamic Acid
• Synonyms: 2-[(3-Nitrophenyl)Methylidene]Butanoic Acid; (2E)-2-[(3-Nitrophenyl)Methylene]Butanoic Acid; 2-[(3-Nitrophenyl)Methylene]Butanoic Acid
• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.21
• CAS Registry Number: 5253-02-1
• EINECS: 226-054-7
• SMILES: C1=C(C=CC=C1\C=C(C(O)=O)/CC)[N+](=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.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin