5-Bromo-1H-indazole-3-carbonitrile

5-Bromo-1H-indazole-3-carbonitrile - Names and Identifiers

Name	5-Bromo-1H-indazole-3-carbonitrile
Synonyms	5-BROMO-3-CYANOINDAZOLE 5-Bromo-3-cyano-1H-indazole 5-Bromo-indazole-3-carbonitrile 5-BROMO-1H-INDAZOLE-3-CARBONITRILE 5-Bromo-1H-indazole-3-carbonitrile 3-Methyl-1H-indazole hydrochloride 1H-Indazole-3-carbonitrile, 5-bromo- 5-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE 1H-INDAZOLE-3-CARBONITRILE, 5-BROMO-
CAS	201227-39-6
InChI	InChI=1/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)

5-Bromo-1H-indazole-3-carbonitrile - Physico-chemical Properties

Molecular Formula	C8H4BrN3
Molar Mass	222.04
Density	1.85±0.1 g/cm3(Predicted)
Boling Point	425.3±25.0 °C(Predicted)
pKa	9.61±0.40(Predicted)
Storage Condition	2-8°C
Refractive Index	1.739

5-Bromo-1H-indazole-3-carbonitrile - Introduction

It is an organic compound with the chemical formula C6H4BrN3. The following is a description of its nature, use, preparation and safety information:

Nature:
1. Appearance: White or light yellow solid.
2. Solubility: soluble in ethanol and ether, slightly soluble in water.
3. Melting Point: about 126-129 ℃.
4. Stability: Relatively stable under regular conditions.

Use:
It can be used as an intermediate for organic synthesis and pharmaceutical research. It is used in the pharmaceutical field for the synthesis of biologically active compounds, such as anti-cancer drugs and antibacterial drugs.

Method:
There are a variety of preparation methods, and common methods include the following:
1. Indazole reaction: Indazole is reacted with bromoacetonitrile.
2. Indazole carboxylate fusion reaction: condensation reaction of indazole carboxylate with bromoacetonitrile.
3. Chloromethylation reaction of indazolone: chloromethylation reaction of indazolone and methyl bromide is carried out to obtain corresponding indazolone, and then indazolone is reacted with tributylamine to obtain the target product.

Safety Information:
1. Is an organic compound, be sure to follow the laboratory safety procedures.
2. Irritating and dangerous, please avoid contact with skin, eyes and mucous membranes.
3. Should be operated in a well-ventilated environment, avoid inhalation of its vapor.
4. During storage and use, please keep away from fire and high temperature.
5. In the event of an accident or accidental contact, rinse immediately with plenty of water and seek medical help.

Last Update：2024-04-09 15:17:54