4-Nitro-2,1,3-Benzooxadiazole 1-Oxide
[CAS# 18771-85-2]

Identification

• Name: 4-Nitro-2,1,3-Benzooxadiazole 1-Oxide
• Synonyms: 4-Nitro-1-Oxido-Benzofurazan-1-Ium; A2304/0097123; 4-Nitrobenzofuroxan
• Molecular Formula: C₆H₃N₃O₄
• Molecular Weight: 181.11
• CAS Registry Number: 18771-85-2
• SMILES: C1=CC=C([N+]([O-])=O)C2=NO[N+](=C12)[O-]
• InChI: 1S/C6H3N3O4/c10-8(11)4-2-1-3-5-6(4)7-13-9(5)12/h1-3H
• InChIKey: XUCKCDGEIRMZPM-UHFFFAOYSA-N

Properties

• Density: 1.872g/cm³ (Cal.)
• Boiling point: 360.156°C at 760 mmHg (Cal.)
• Flash point: 171.617°C (Cal.)

References

• (1): Betty Cottyn, Alexei Starosotnikov, Dominique Vichard, Régis Goumont, Svyatoslav Shevelev and François Terrier. The versatile electrophilic reactivity of 4,6-dinitrobenzo[d]isoxazole-3-carbonitrile, Org. Biomol. Chem., 2009, 7, 1137.