1-(5-Bromo-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
[CAS# 94158-36-8]

Identification

• Name: 1-(5-Bromo-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
• Synonyms: 1-(5-bromo-1h-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone; NSC105332
• Molecular Formula: C₁₇H₁₁BrN₂O₅
• Molecular Weight: 403.18
• CAS Registry Number: 94158-36-8
• EINECS: 303-106-8
• SMILES: Brc1ccc2c(c1)c(cn2)C(=O)Cc3cc4OCOc4cc3[N+]([O-])=O
• InChI: 1S/C17H11BrN2O5/c18-10-1-2-13-11(5-10)12(7-19-13)15(21)3-9-4-16-17(25-8-24-16)6-14(9)20(22)23/h1-2,4-7,19H,3,8H2
• InChIKey: KPRHDEMUYRGXGM-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 600.877°C at 760 mmHg (Cal.)
• Flash point: 317.199°C (Cal.)