Benzonitrile, 3-bromo-4-(bromomethyl)-

Benzonitrile, 3-bromo-4-(bromomethyl)- - Names and Identifiers

Name	3-bromo-4-(bromomethyl)benzonitrile
Synonyms	NSC 149637 2-Bromo-4-cyanobenzyl bromide 3-broMo-4-(broMoMethyl)benzonitrile 3-bromo-4-(bromomethyl)benzonitrile 2-Bromo-1-bromomethyl-4-cyanobenzene Benzonitrile, 3-bromo-4-(bromomethyl)-
CAS	89892-39-7
InChI	InChI=1/C8H5Br2N/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2

Benzonitrile, 3-bromo-4-(bromomethyl)- - Physico-chemical Properties

Molecular Formula	C8H5Br2N
Molar Mass	274.94
Density	1.92
Boling Point	319.3±32.0 °C(Predicted)
Flash Point	146.9°C
Vapor Presure	0.000341mmHg at 25°C
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index	1.639

Benzonitrile, 3-bromo-4-(bromomethyl)- - Risk and Safety

UN IDs	3439
Hazard Class	6.1
Packing Group	Ⅲ

Benzonitrile, 3-bromo-4-(bromomethyl)- - Introduction

3-bromo-4-(bromomethyl)benzonitrile is an organic compound with the formula C8H5Br2N. It is a colorless to pale yellow solid.

Nature:
-Solubility: 3-bromo-4-(bromomethyl)benzonitrile has good solubility in some organic solvents, such as dimethyl sulfoxide and dichloromethane.
-Melting point: about 96-100 ℃.
-ignition point: no clear data.
-Density: Approximately 2.021g/cm³.

Use:
- 3-bromo-4-(bromomethyl)benzonitrile can be used as an important intermediate in organic synthesis. It has certain application value in pesticide, medicine and dye industry.
-Because of its important chemical activity, it can also be used in organic synthesis research, such as the synthesis of various functionalized benzonitrile derivatives.

Preparation Method:
3-bromo-4-(bromomethyl)benzonitrile can be synthesized by the following steps:
1. the reaction of toluene and hydrogen cyanide to obtain methyl benzene nitrile.
2. p-methylbenzonitrile reacts with methyl bromide, and bromomethyl is introduced by Snieckus/Hartwig(SnAr) aromatic nucleophilic substitution reaction.
3. Finally, bromine treatment is used under acidic conditions to introduce a second bromine atom into the hydrodehalogenation reaction.

Safety Information:
3-bromo-4-(bromomethyl)benzonitrile should pay attention to the following safety precautions when using and handling:
-It is irritating to the skin and eyes and requires protective measures, such as wearing protective gloves and goggles.
-When in contact with strong oxidants or strong acids, toxic gases may be produced.
-Avoid inhaling its dust or vapor, and provide good ventilation during operation.
-Store away from fire and oxidant, and avoid contact with flammable materials.

When handling and handling this compound, please be sure to follow the correct laboratory safety regulations and consult a professional for guidance.

Last Update：2024-04-09 21:04:16