4-Nitro-7-Phenylthiobenzofurazane 1-Oxide
[CAS# 18378-06-8]

Identification

• Name: 4-Nitro-7-Phenylthiobenzofurazane 1-Oxide
• Synonyms: 4-Nitro-1-Oxido-7-(Phenylthio)-2,1,3-Benzoxadiazol-1-Ium; 4-Nitro-1-Oxido-7-(Phenylthio)Benzofurazan-1-Ium; 4-Nitro-7-Phenylthiobenzofurazan 1-Oxide
• Molecular Formula: C₁₂H₇N₃O₄S
• Molecular Weight: 289.27
• CAS Registry Number: 18378-06-8
• SMILES: C3=C(SC1=CC=CC=C1)C2=[N+](ON=C2C(=C3)[N+]([O-])=O)[O-]
• InChI: 1S/C12H7N3O4S/c16-14(17)9-6-7-10(12-11(9)13-19-15(12)18)20-8-4-2-1-3-5-8/h1-7H
• InChIKey: NHDVXPDPUYQSNH-UHFFFAOYSA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 519.369°C at 760 mmHg (Cal.)
• Flash point: 267.905°C (Cal.)