2,1,3-Benzoxadiazole,5-bromo-

2,1,3-Benzoxadiazole,5-bromo- - Names and Identifiers

Name	5-bromo-2,1,3-benzoxadiazole
Synonyms	BUTTPARK 854-54 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

2,1,3-Benzoxadiazole,5-bromo- - 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

2,1,3-Benzoxadiazole,5-bromo- - 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

2,1,3-Benzoxadiazole,5-bromo- - 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.

Last Update：2024-04-09 20:49:11