2-(4-Bromobutyl)-5-Nitro-1H-Isoindole-1,3(2H)-Dione
[CAS# 125207-39-8]

Identification

• Name: 2-(4-Bromobutyl)-5-Nitro-1H-Isoindole-1,3(2H)-Dione
• Synonyms: 2-(4-Bromobut-1-yl)-5-nitro-1H-isoindole-1,3(2H)-dione; 2-(4-Bromobut-1-yl)-5-nitro-1H-isoindole-1,3(2H)-dione, 2-(4-Bromobut-1-yl)-5-nitroisoindolin-1,3-dione; 2-(4-Bromobut-1-yl)-5-nitro-1H-isoindole-1,3(2H)-dione; 2-(4-Bromobut-1-yl)-5-nitroisoindolin-1,3-dione
• Molecular Formula: C₁₂H₁₁BrN₂O₄
• Molecular Weight: 327.13
• CAS Registry Number: 125207-39-8
• SMILES: [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)CCCCBr
• InChI: 1S/C12H11BrN2O4/c13-5-1-2-6-14-11(16)9-4-3-8(15(18)19)7-10(9)12(14)17/h3-4,7H,1-2,5-6H2
• InChIKey: MQBKILMXULFSRI-UHFFFAOYSA-N

Properties

• Density: 1.651g/cm³ (Cal.)
• Melting point: 102-104°C (Expl.)
• Boiling point: 459.386°C at 760 mmHg (Cal.)
• Flash point: 231.629°C (Cal.)
• Refractive index: 1.63 (Cal.)

Safety Data

• Safety Description: Toxic