5,6,7,8,9,10-Hexahydro-5-(3-Bromobenzoyl)Cyclohepta[b]-1,3-Dioxolo[4,5-f]Indole
[CAS# 50332-34-8]

Identification

• Name: 5,6,7,8,9,10-Hexahydro-5-(3-Bromobenzoyl)Cyclohepta[b]-1,3-Dioxolo[4,5-f]Indole
• Synonyms: Cyclohepta(B)-1,3-Dioxolo(4,5-F)Indole, 5,6,7,8,9,10-Hexahydro-5-(M-Bromobenzoyl)-; 5-(3-Bromobenzoyl)-5,6,7,8,9,10-Hexahydrocyclohepta(B)-1,3-Dioxolo(4,5-F)Indole; Brn 1038240
• Molecular Formula: C₂₁H₁₈BrNO₃
• Molecular Weight: 412.28
• CAS Registry Number: 50332-34-8
• SMILES: C2=C1C4=C([NH]C1=CC3=C2OCO3)CCCCC4C(=O)C5=CC=CC(=C5)Br
• InChI: 1S/C21H18BrNO3/c22-13-5-3-4-12(8-13)21(24)14-6-1-2-7-16-20(14)15-9-18-19(26-11-25-18)10-17(15)23-16/h3-5,8-10,14,23H,1-2,6-7,11H2
• InChIKey: AVRJJEHVUYNMGI-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 592.296°C at 760 mmHg (Cal.)
• Flash point: 312.01°C (Cal.)