4-Nitro-N-(9-Thia-8-Azabicyclo[4.3.0]Nona-1,3,5,7-Tetraen-7-Yl)Benzamide
[CAS# 69504-35-4]

Identification

• Name: 4-Nitro-N-(9-Thia-8-Azabicyclo[4.3.0]Nona-1,3,5,7-Tetraen-7-Yl)Benzamide
• Synonyms: N-(1,2-Benzothiazol-3-Yl)-4-Nitro-Benzamide; Benzamide, N-1,2-Benzisothiazol-3-Yl-4-Nitro-; N-1,2-Benzisothiazol-3-Yl-4-Nitrobenzamide
• Molecular Formula: C₁₄H₉N₃O₃S
• Molecular Weight: 299.30
• CAS Registry Number: 69504-35-4
• SMILES: C1=CC=CC2=C1C(=NS2)NC(=O)C3=CC=C([N+]([O-])=O)C=C3
• InChI: 1S/C14H9N3O3S/c18-14(9-5-7-10(8-6-9)17(19)20)15-13-11-3-1-2-4-12(11)21-16-13/h1-8H,(H,15,16,18)
• InChIKey: GZVYYIGLDBOHAP-UHFFFAOYSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 369.617°C at 760 mmHg (Cal.)
• Flash point: 177.338°C (Cal.)