| Identification | Back Directory | [Name]
6-BROMOBENZOXAZOLE | [CAS]
375369-14-5 | [Synonyms]
6-BROMOBENZOXAZOLE
6-Chlorbenzoxazole
Benzoxazole, 6-bromo-
6-BROMOBENZO[D]OXAZOLE
6-broMo-1,3-benzoxazole
6-BROMOBENZOXAZOLE ISO 9001：2015 REACH | [Molecular Formula]
C7H4BrNO | [MDL Number]
MFCD03092891 | [MOL File]
375369-14-5.mol | [Molecular Weight]
198.02 |
| Chemical Properties | Back Directory | [Boiling point ]
251.2±13.0 °C(Predicted) | [density ]
1.710±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
granular crystalline powder | [pka]
-0.49±0.30(Predicted) | [color ]
Reddish salmon (hint of tan) | [InChI]
InChI=1S/C7H4BrNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H | [InChIKey]
YXVFVHLEIBLKCA-UHFFFAOYSA-N | [SMILES]
O1C2=CC(Br)=CC=C2N=C1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 6-bromobenzo[d]oxazole from 2-amino-5-bromophenol and trimethyl orthoformate: A mixture of 2-amino-5-bromophenol (1.0 g, 5.34 mmol), p-toluenesulfonic acid (100 mg, 0.581 mmol), and trimethyl orthoformate (6 mL) was stirred and reacted for 1 hr at 80 °C and under nitrogen protection. After completion of the reaction, the mixture was concentrated under vacuum. The residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate = 9:1) to afford 6-bromobenzo[d]oxazole (980 mg, 93% yield) as a brown solid.LC-MS analysis showed no specific mass peaks and retention time tR = 1.73 min. | [References]
[1] Patent: WO2017/176961, 2017, A1. Location in patent: Paragraph 00510 |
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