3-Methyl-2-Nitrobenzonitrile
[CAS# 1885-77-4]

Identification

• Name: 3-Methyl-2-Nitrobenzonitrile
• Synonyms: 3-Cyano-2-nitrotoluene; 3-methyl-2-nitrobenzonitrile; 3-Methyl-2-nitro-benzonitrile
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• CAS Registry Number: 1885-77-4
• SMILES: CC1=C(C(=CC=C1)C#N)[N+](=O)[O-]
• InChI: 1S/C8H6N2O2/c1-6-3-2-4-7(5-9)8(6)10(11)12/h2-4H,1H3
• InChIKey: MIDHYAOVUFWYPU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 318.8±30.0°C at 760 mmHg (Cal.)
• Flash point: 146.6±24.6°C (Cal.)
• Refractive index: 1.568 (Cal.)