4-Methyl-3,5-Dinitroaniline
[CAS 153919-64-3]

Identification

• Name: 4-Methyl-3,5-Dinitroaniline
• Synonyms: 3, 5-Dinitro-4-methylaniline; 3,5-Dinitro-4-methylaniline; 3,5-Dinitro-p-toluidine
• Molecular Formula: C₇H₇N₃O₄
• Molecular Weight: 197.15
• CAS Registry Number: 153919-64-3
• SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
• InChI: 1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
• InChIKey: KQRJATLINVYHEZ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 382.6±37.0°C at 760 mmHg (Cal.)
• Flash point: 185.2±26.5°C (Cal.)
• Refractive index: 1.656 (Cal.)

References

• (1): Duncan Graham, Alan R. Kennedy, Callum J. McHugh, W. Ewen Smith, William I. F. David, Kenneth Shankland and Norman Shankland. The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene, New J. Chem., 2004, 28, 161.