N-(2,4,6-Trinitrophenyl)-1,2-Benzenediamine
[CAS# 105049-03-4]

Identification

• Name: N-(2,4,6-Trinitrophenyl)-1,2-Benzenediamine
• Molecular Formula: C₁₂H₉N₅O₆
• Molecular Weight: 319.23
• CAS Registry Number: 105049-03-4
• SMILES: [O-][N+](=O)c1c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)Nc2ccccc2N
• InChI: 1S/C12H9N5O6/c13-8-3-1-2-4-9(8)14-12-10(16(20)21)5-7(15(18)19)6-11(12)17(22)23/h1-6,14H,13H2
• InChIKey: PBBLSELQFQHTAB-UHFFFAOYSA-N

Properties

• Density: 1.652g/cm³ (Cal.)
• Boiling point: 454.299°C at 760 mmHg (Cal.)
• Flash point: 228.552°C (Cal.)
• Refractive index: 1.76 (Cal.)