6-Nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide
[CAS# 89403-85-0]

Identification

• Name: 6-Nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide
• Synonyms: 6-nitro-4-oxo-3,4-dihydro-1,2,3-benzotriazin-2-ium-2-olate; ZINC02159000
• Molecular Formula: C₇H₄N₄O₄
• Molecular Weight: 208.13
• CAS Registry Number: 89403-85-0
• EINECS: 289-498-0
• SMILES: [O-][N+](=O)c2ccc1c(C(=O)/N=[N+](/[O-])N1)c2
• InChI: 1S/C7H4N4O4/c12-7-5-3-4(10(13)14)1-2-6(5)8-11(15)9-7/h1-3H,(H,8,9,12)
• InChIKey: BKYFXFGONFMJNN-UHFFFAOYSA-N

Properties

• Density: 1.919g/cm³ (Cal.)
• Boiling point: 457.25°C at 760 mmHg (Cal.)
• Flash point: 230.337°C (Cal.)