51376-06-8
5-bromo-2,1,3-benzoxadiazole
CAS: 51376-06-8
Molecular Formula: C6H3BrN2O
51376-06-8 - Names and Identifiers
| Name | 5-bromo-2,1,3-benzoxadiazole |
| Synonyms | BUTTPARK 85 4-54 5-BROMO-2,1,3-BENZOXADIAZOLE 5-bromo-2,1,3-benzoxadiazole 2,1,3-Benzoxadiazole,5-bromo- 5-BROMOBENZO[1,2,5]OXA-DIAZOLE 5-bromobenzo[c][1,2,5]oxadiazole |
| CAS | 51376-06-8 |
| InChI | InChI=1/C6H3BrN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H |
51376-06-8 - Physico-chemical Properties
| Molecular Formula | C6H3BrN2O |
| Molar Mass | 199 |
| Density | 1.826±0.06 g/cm3(Predicted) |
| Melting Point | 72 °C |
| Boling Point | 255.8±32.0 °C(Predicted) |
| Flash Point | 108.491°C |
| Vapor Presure | 0.026mmHg at 25°C |
| pKa | -1.63±0.36(Predicted) |
| Storage Condition | Room temperature. |
| Refractive Index | 1.661 |
51376-06-8 - Risk and Safety
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| Hazard Note | Irritant |
51376-06-8 - Introduction
5-bromo-2,1,3-benzoxadiazole is an organic compound with the formula C7H4BrN2O. It is a yellow solid with a strong odor. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: Yellow solid
-Molecular weight: 215.02g/mol
-Melting Point: 71-73°C
-Boiling Point: 327-328°C
-Solubility: Soluble in organic solvents such as chloroform, ether and dimethylformamide, insoluble in water
Use:
- 5-bromo-2,1,3-benzoxadiazole is often used as an intermediate in organic synthesis and can be used to synthesize various biologically active compounds.
-It is used as a fluorescent probe and photosensitizer in organic light-emitting diodes (OLED), dye-sensitized solar cells (DSSC) and organic optoelectronic devices.
-It can also be used as a key raw material in drug development.
Preparation Method:
The synthesis method of 5-bromo-2,1,3-benzoxadiazole can be carried out by the following steps:
1. Benzoxazine and bromoethane are reacted in the presence of cuprous chloride.
2. The deprotection reaction is carried out under alkaline conditions to obtain 5-bromo-2,1,3-benzoxadiazole.
Safety Information:
- 5-bromo-2,1,3-benzoxadiazole is generally considered to be stable under general conditions of use. However, contact with strong oxidants and strong acids should be avoided.
-It may be irritating to the eyes, skin and respiratory tract, so wear appropriate personal protective equipment such as chemical protective gloves and goggles during operation.
-During use or storage, the waste of the compound should be properly disposed of in accordance with local laws and regulations.
Nature:
-Appearance: Yellow solid
-Molecular weight: 215.02g/mol
-Melting Point: 71-73°C
-Boiling Point: 327-328°C
-Solubility: Soluble in organic solvents such as chloroform, ether and dimethylformamide, insoluble in water
Use:
- 5-bromo-2,1,3-benzoxadiazole is often used as an intermediate in organic synthesis and can be used to synthesize various biologically active compounds.
-It is used as a fluorescent probe and photosensitizer in organic light-emitting diodes (OLED), dye-sensitized solar cells (DSSC) and organic optoelectronic devices.
-It can also be used as a key raw material in drug development.
Preparation Method:
The synthesis method of 5-bromo-2,1,3-benzoxadiazole can be carried out by the following steps:
1. Benzoxazine and bromoethane are reacted in the presence of cuprous chloride.
2. The deprotection reaction is carried out under alkaline conditions to obtain 5-bromo-2,1,3-benzoxadiazole.
Safety Information:
- 5-bromo-2,1,3-benzoxadiazole is generally considered to be stable under general conditions of use. However, contact with strong oxidants and strong acids should be avoided.
-It may be irritating to the eyes, skin and respiratory tract, so wear appropriate personal protective equipment such as chemical protective gloves and goggles during operation.
-During use or storage, the waste of the compound should be properly disposed of in accordance with local laws and regulations.
Last Update：2024-04-09 20:49:11
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