4-chloro-2-trifluoromethylbenzonitrile

4-chloro-2-trifluoromethylbenzonitrile - Names and Identifiers

Name	4-Chloro-2-(trifluoromethyl)benzonitrile
Synonyms	5-Chloro-2-Cyanobenzotrifluoride 5-CHLORO-2-CYANOBENZOTRIFLUORIDE 3-Chloro-6-cyanobenzotrifluoride 4-chloro-2-trifluoromethylbenzonitrile 2-TRIFLUOROMETHYL-4-CHLOROBENZONITRILE 4-CHLORO-2-(TRIFLUOROMETHYL)BENZONITRILE 4-Chloro-2-(trifluoromethyl)benzonitrile 4-chloro-2-(trifluoronethyl)benzonitrile 2-trifluoromethyl-4-chlorophenyl-carbonitrile
CAS	320-41-2
InChI	InChI=1/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H

4-chloro-2-trifluoromethylbenzonitrile - Physico-chemical Properties

Molecular Formula	C8H3ClF3N
Molar Mass	205.56
Density	1.43±0.1 g/cm3(Predicted)
Boling Point	109/10mm
Flash Point	87.5°C
Vapor Presure	0.109mmHg at 25°C
Storage Condition	2-8°C
Refractive Index	1.4950
MDL	MFCD00060671

4-chloro-2-trifluoromethylbenzonitrile - Risk and Safety

Hazard Symbols	T - Toxic
UN IDs	UN3276
Hazard Note	Toxic
Hazard Class	6.1
Packing Group	III

4-chloro-2-trifluoromethylbenzonitrile - Reference Information

Application

4-chloro-2-trifluoromethylbenzonitrile (1) is an important intermediate in the synthesis of bicalutamide. In addition, because of its multiple reaction sites, it is widely used in the preparation of pharmaceutical and chemical intermediates.

synthesis method

synthesis process using 3-trifluoromethyl chlorobenzene as raw material. this route uses brominating reagents, format reagents, formylation reagents, etc., avoiding the use of iron powder and cuprous cyanide, making the operation safer and more environmentally friendly. The route is easy to obtain raw materials, mild conditions, simple operation, high yield, environmentally friendly, suitable for industrial production. The synthesis reaction formula of 4-chloro-2-trifluoromethylbenzonitrile is as follows:

Last Update：2024-04-09 19:05:11