2,5-Dimethyl-3-nitrobenzonitrile
[CAS# 625112-45-0]

Identification

• Name: 2,5-Dimethyl-3-nitrobenzonitrile
• Synonyms: 2,5-Dimethyl-3-nitrobenzonitril; 2,5-Dimethyl-3-nitrobenzonitrile; 2,5-Diméthyl-3-nitrobenzonitrile
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• CAS Registry Number: 625112-45-0
• SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])C)C#N
• InChI: 1S/C9H8N2O2/c1-6-3-8(5-10)7(2)9(4-6)11(12)13/h3-4H,1-2H3
• InChIKey: DIZUEYJVKMJRRO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 301.1±30.0°C at 760 mmHg (Cal.)
• Flash point: 135.9±24.6°C (Cal.)
• Refractive index: 1.559 (Cal.)