4-Bromo-m-tolunitrile

4-Bromo-m-tolunitrile - Names and Identifiers

Name	4-Bromo-3-methylbenzonitrile
Synonyms	4-Bromo-m-tolunitrile Methyl-4-bromobenzonitrile 3-Methyl-4-bromocyanobenzene 4-Bromo-3-methylbenzonitrile 4-BROMO-3-METHYLBENZONITRILE 3-Methyl-4-bromobenzonitrile 1-Bromo-4-cyano-2-methylbenzene 2-Bromo-5-cyanotoluene, 4-Bromo-m-tolunitrile
CAS	41963-20-6
EINECS	628-521-4
InChI	InChI=1/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChIKey	SKXUZFJOLNNWIG-UHFFFAOYSA-N

4-Bromo-m-tolunitrile - Physico-chemical Properties

Molecular Formula	C8H6BrN
Molar Mass	196.04
Density	1.51
Melting Point	53-57 °C (lit.)
Boling Point	129-130°C 5mm
Flash Point	205°F
Water Solubility	Insoluble in water.
Vapor Presure	0.00937mmHg at 25°C
Appearance	Crystalline powder
BRN	2354972
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.59
MDL	MFCD00031538

4-Bromo-m-tolunitrile - Risk and Safety

Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	36/37 - Wear suitable protective clothing and gloves.
UN IDs	3439
WGK Germany	3
Hazard Note	Irritant
Hazard Class	6.1
Packing Group	III

4-Bromo-m-tolunitrile - Reference Information

use

4-bromo-3-methylbenzonitrile is an organic intermediate that can be used to prepare FASN inhibitors and STAT3 inhibitors.

Examples of applications

4-bromo-3-methylbenzonitrile can be used to prepare FASN inhibitors with the following structure. Fatty acid synthase (FAS) is a key enzyme for endogenous lipogenesis and plays an important role in the regulation of key intermediates of lipid and carbohydrate cell metabolism. FAS is highly expressed in tissues with high metabolic activity (such as liver, adipose tissue, and brain), and there is good reason to believe that FAS inhibitors cause beneficial metabolic effects in peripheral tissues. In addition, inhibition of FAS in the hypothalamus may lead to reduced food intake. In addition, the activity of the host's FAS plays an important role in viral infection and viral replication, suggesting that FAS is a target for antiviral therapy. The expression of FAS is greatly increased in many cancers, and there is evidence that effective fatty acid synthesis is required for tumor cell survival. Therefore, it has been suggested that the inhibition of FAS is a new direction in oncology (ExpertOpin.Investig.Drugs16,1(2007)1817-1829).

Last Update：2024-04-09 21:00:56