3-bromo-4-methylbenzonitrile

3-bromo-4-methylbenzonitrile - Names and Identifiers

Name	3-bromo-4-methylbenzonitrile
Synonyms	Bromo-4-methyl-benzonitrile 3-bromo-4-methylbenzonitrile 4-methyl-3-bromobenzonitrile 3-Bromo-4-methylbenzonitrile Benzonitrile, 3-bromo-4-methyl- benzonitrile, 3-bromo-4-methyl- 3-BROMO-4-METHYLBENZONITRILE 97 2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile
CAS	42872-74-2
InChI	InChI=1/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey	VXUMRYMTYKDWMO-UHFFFAOYSA-N

3-bromo-4-methylbenzonitrile - Physico-chemical Properties

Molecular Formula	C8H6BrN
Molar Mass	196.04
Density	1.51±0.1 g/cm3(Predicted)
Melting Point	41-45 °C (lit.)
Boling Point	259.1±20.0 °C(Predicted)
Flash Point	>230°F
Water Solubility	Insoluble in water.
Vapor Presure	0.013mmHg at 25°C
Appearance	Yellow crystal
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.591
MDL	MFCD06797818

3-bromo-4-methylbenzonitrile - Risk and Safety

Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	36 - Wear suitable protective clothing.
UN IDs	UN3439
WGK Germany	3
Hazard Note	Harmful
Hazard Class	6.1
Packing Group	III

3-bromo-4-methylbenzonitrile - Introduction

It is an organic compound with the chemical formula C8H6BrN. It is a white solid with a special smell.

It is often used as an important intermediate in organic synthesis. It can be used to synthesize drugs, pesticides, dyes and chemical reagents. For example, it can be used in the synthesis of antibiotics and anticancer drugs. In addition, it can also be used as a raw material for organic light emitting materials and ionic liquids.
There are many preparation methods for
, and one commonly used method is to react p-tolylboronic acid with brominylformamide. The specific preparation operation needs to be adjusted and optimized according to the actual situation.

When using and handling, you need to pay attention to its safety information. It is an organic compound with certain toxicity and irritation, and direct contact with skin, eyes and respiratory tract should be avoided. Wear protective equipment such as gloves, goggles and face shields during operation. At the same time, work in a well-ventilated place to avoid dust and steam. If aspiration or ingestion occurs, seek medical attention immediately.

Last Update：2024-04-09 21:11:58