1-Bromo-2,4,6-Tris(2,2-Dimethylpropyl)-3-Iodo-5-Nitrobenzene
[CAS# 40572-26-7]

Identification

• Name: 1-Bromo-2,4,6-Tris(2,2-Dimethylpropyl)-3-Iodo-5-Nitrobenzene
• Synonyms: 1-Bromo-3-iodo-2,4,6-trineopentyl-5-nitrobenzene #
• Molecular Formula: C₂₁H₃₃BrINO₂
• Molecular Weight: 538.30
• CAS Registry Number: 40572-26-7
• SMILES: Brc1c(c(c(c(I)c1CC(C)(C)C)CC(C)(C)C)[N+]([O-])=O)CC(C)(C)C
• InChI: 1S/C21H33BrINO2/c1-19(2,3)10-13-16(22)14(11-20(4,5)6)18(24(25)26)15(17(13)23)12-21(7,8)9/h10-12H2,1-9H3
• InChIKey: OHAJKVKECPDHMX-UHFFFAOYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 474.302°C at 760 mmHg (Cal.)
• Flash point: 240.649°C (Cal.)