5-(Cyanomethyl)-2-Nitrobenzoic Acid
[CAS# 104825-33-4]

Identification

• Name: 5-(Cyanomethyl)-2-Nitrobenzoic Acid
• Synonyms: 5-(cyanomethyl)-2-nitrobenzoic acid
• Molecular Formula: C₉H₆N₂O₄
• Molecular Weight: 206.15
• CAS Registry Number: 104825-33-4
• SMILES: c1cc(c(cc1CC#N)C(=O)O)[N+](=O)[O-]
• InChI: 1S/C9H6N2O4/c10-4-3-6-1-2-8(11(14)15)7(5-6)9(12)13/h1-2,5H,3H2,(H,12,13)
• InChIKey: YOJHHSAYGLLJFT-UHFFFAOYSA-N

Properties

• Density: 1.472g/cm³ (Cal.)
• Boiling point: 468.358°C at 760 mmHg (Cal.)
• Flash point: 237.055°C (Cal.)
• Refractive index: 1.62 (Cal.)