4-Nitro-3-Phenylbutanoic Acid
[CAS# 41441-41-2]

Identification

• Name: 4-Nitro-3-Phenylbutanoic Acid
• Synonyms: β-(Nitromethyl)-benzenepropanoic acid; β-(NITROMETHYL)-BENZENEPROPANOICACID
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.20
• CAS Registry Number: 41441-41-2
• SMILES: C1=CC=C(C=C1)C(CC(=O)O)C[N+](=O)[O-]
• InChI: 1S/C10H11NO4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
• InChIKey: YCOCGPQYZANFEB-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 383.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 167.3±14.4°C (Cal.)