| Identification | Back Directory | [Name]
5-BROMO-2,1,3-BENZOXADIAZOLE | [CAS]
51376-06-8 | [Synonyms]
BUTTPARK 85\04-54
5-Bromobenzofurazan,97%
5-BROMO-2,1,3-BENZOXADIAZOLE
2,1,3-Benzoxadiazole,5-bromo-
5-BROMOBENZO[1,2,5]OXA-DIAZOLE | [Molecular Formula]
C6H3BrN2O | [MDL Number]
MFCD02682026 | [MOL File]
51376-06-8.mol | [Molecular Weight]
199 |
| Chemical Properties | Back Directory | [Melting point ]
72 °C | [Boiling point ]
255.8±32.0 °C(Predicted) | [density ]
1.826±0.06 g/cm3(Predicted) | [storage temp. ]
Room temperature. | [form ]
Solid | [pka]
-1.63±0.36(Predicted) | [CAS DataBase Reference]
51376-06-8 |
| Hazard Information | Back Directory | [Uses]
5-Bromobenzo[c][1,2,5]oxadiazole (51376-06-8), also known as 5-Bromo-2,1,3-benzoxadiazole, is a heterocyclic compound. It can be used as a pharmaceutical intermediate in drug synthesis.
| [Preparation]
Triphenylphosphine (1.1 mmol) was dissolved in dry toluene (3 mL) and stirred at 110°C under argon atmosphere; then 6-bromobenzo[c][1,2,5]oxadiazole 1-oxide (1 mmol) in toluene (0.5 mL) was added dropwise over 1 hour and the resulting mixture was stirred for 3 hours. After completion, the solvent was evaporated in vacuo, and the crude was purified through flash column chromatography (cyclohexane - diethyl ether 98:2) to afford 5-Bromobenzo[c][1,2,5]oxadiazole which is a pale pink solid.
 | [References]
[1] Song X, et al. Fusing Benzo[c][1,2,5]oxadiazole Unit with Thiophene for Constructing Wide-bandgap High-performance IDT-based Polymer Solar Cell Donor Material. Macromolecular Rapid Communications, 2018; 39: 1700782. |
|
|