4,5,6-Trinitrobenzene-1,2,3-triamine
[CAS# 67539-61-1]

Identification

• Name: 4,5,6-Trinitrobenzene-1,2,3-triamine
• Synonyms: (2,3-Diamino-4,5,6-Trinitro-Phenyl)Amine; Ar,Ar,Ar-Trinitrobenzenetriamine
• Molecular Formula: C₆H₆N₆O₆
• Molecular Weight: 258.15
• CAS Registry Number: 67539-61-1
• EINECS: 266-714-1
• SMILES: C1(=C([N+]([O-])=O)C(=C(N)C(=C1[N+]([O-])=O)N)N)[N+]([O-])=O
• InChI: 1S/C6H6N6O6/c7-1-2(8)4(10(13)14)6(12(17)18)5(3(1)9)11(15)16/h7-9H2
• InChIKey: MKWKGRNINWTHMC-UHFFFAOYSA-N

Properties

• Density: 1.959g/cm³ (Cal.)
• Boiling point: 735.558°C at 760 mmHg (Cal.)
• Flash point: 398.651°C (Cal.)

References

• (1): Guo-Hong Tao, Brendan Twamley and Jean'ne M. Shreeve. A thermally stable nitrogen-rich energetic material—3,4,5-triamino-1-tetrazolyl-1,2,4-triazole (TATT), J. Mater. Chem., 2009, 19, 5850.