6-(4-Nitrophenyl)Pyrrolo[2,1-d][1,5]Benzothiazepine 5,5-Dioxide
[CAS# 43093-01-2]

Identification

• Name: 6-(4-Nitrophenyl)Pyrrolo[2,1-d][1,5]Benzothiazepine 5,5-Dioxide
• Synonyms: Pyrrolo[2,1-D][1,5]Benzothiazepine, 6-(4-Nitrophenyl)-, 5,5-Dioxide
• Molecular Formula: C₁₈H₁₂N₂O₄S
• Molecular Weight: 352.36
• CAS Registry Number: 43093-01-2
• SMILES: C1=CC=CC2=C1[S](=O)(=O)C(=CC3=CC=C[N]23)C4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C18H12N2O4S/c21-20(22)14-9-7-13(8-10-14)18-12-15-4-3-11-19(15)16-5-1-2-6-17(16)25(18,23)24/h1-12H
• InChIKey: PMPHREALWHNQQX-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 624.235°C at 760 mmHg (Cal.)
• Flash point: 331.326°C (Cal.)