328-87-0

Basic information

• Product Name: 2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE
• Synonyms: 2-chloro-5-(trifluoromethyl)-benzonitril;Benzonitrile, 2-chloro-5-(trifluoromethyl)-;2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE;4-CHLORO-3-CYANOBENZOTRIFLUORIDE;4-Chloro-3-cyanobenzotrifluoride 98%;4-Chloro-3-cyanobenzotrifluoride98%;2-CHLORO-5-TRIFLUOROMETHYLBENZONITRILE(3-CYANO-4-CHLOROBENZOTRIFLUORIDE);2-chloro-5-trifluoromethylbnezonitrile
• CAS NO: 328-87-0
• Molecular Formula: C₈H₃ClF₃N
• Molecular Weight: 205.56
• EINECS: 206-338-7
• Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 328-87-0.mol
• Article Data: 6

Chemical Properties

• Melting Point: 38-42 °C(lit.)
• Boiling Point: 210-212 °C(lit.)
• Flash Point: 215 °F
• Appearance: white to light yellow crystal powder
• Density: 1.481 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0561mmHg at 25°C
• Refractive Index: 1.484
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 1912184
• CAS DataBase Reference: 2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE(328-87-0)
• EPA Substance Registry System: 2-CHLORO-5-(TRIFLUOROMETHYL)BENZONITRILE(328-87-0)

Safety Data

• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39-22
• RIDADR: 3276
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 328-87-0(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

4-Chloro-3-cyanobenzotrifluoride (CAS# 328-87-0) can be used to produce a thermal coupler control system in water supply systems.

General Description

Synthesis of 2-chloro-5-trifluoromethyl-benzonitrile, via Sandmeyer reaction of 2-chloro-5-trifluoromethylaniline with copper cyanide/sodium cyanide, is reported.

InChI:InChI=1/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H

Upstream product

• 143-33-9 sodium cyanide 
• 121-50-6 3-amino-4-chlorobenzotrifluoride 
• 15996-78-8 2-chloro-5-(trifluoromethyl)benzylamine 
• 82386-89-8 2-chloro-5-(trifluoromethyl)benzaldehyde 

Downstream Products

• 50594-40-6 2-(3-Methyl-4-nitro-phenoxy)-5-trifluoromethyl-benzonitrile 
• 127667-08-7 2-[Cyano-(4-fluoro-phenyl)-methyl]-5-trifluoromethyl-benzonitrile 
• 127667-30-5 (2-cyano-4-(trifluoromethyl)phenyl)(4-fluorophenyl)methyl phenyl sulfone 
• 77795-61-0 <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid 
• 77795-60-9 <2-(2-aminocarbonyl-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid 
• 24156-17-0 2-(m-methylbenzylthio)-5-trifluoromethylbenzoic acid 
• 25373-51-7 1-(4-trifluoromethyl-2-cyanophenyl)-1H-imidazole 
• 56774-08-4 2-cyano-α,α,α-trifluoro-p-tolyl-4-chlorophenylether 
• 5685-69-8 1-methyl-5-trifluoromethyl-1H-indazol-3-ylamine 
• 65052-53-1 6-(2-chloro-5-trifluoromethyl-phenyl)-[1,3,5]triazine-2,4-diamine 
• 53542-36-2 2-(3'-fluorophenylthio)-5-trifluoromethyl-benzoic acid 
• 53985-54-9 2-(benzyloxy)-5-(trifluoromethyl)benzoic acid 
• 945226-81-3 2-chloro-5-(trifluoromethyl)benzothioamide 
• 20566-93-2 2-chloro-5-(trifluoromethyl)benzamide 

Relevant articles and documents

Scale-up and safety evaluation of a sandmeyer reaction

A scale-up of a new process for the production of 2-chloro-5- trifluoromethyl-benzonitrile by a Sandmeyer reaction of 2-Chloro-5- trifluoromethylaniline with copper cyanide/sodium cyanide is described. To ensure a safe implementation, a safety evaluation of the process was carried out, which is described in the following. The new process gives a better working environment and better productivity due to shorter reaction time.

Synthesis of nitriles from amines using nanoscale Co3O4-based catalysts via sustainable aerobic oxidation

The selective oxidation of amines for the benign synthesis of nitriles under mild conditions is described. Key to success for this transformation is the application of reusable cobalt oxide-based nanocatalysts. The resulting nitriles constitute key precursors and central intermediates in organic synthesis.

Process for producing trifluoromethylbenzylamines

The invention relates to a process for producing a trifluotomethylbenzylamine represented by the following general formula (1), 1where each R independently represents a halogen selected from the group consisting of fluorine, chlorine, bromine and iodine, an alkyl group having a carbon atom number of 1-4, an alkoxy group having a carbon atom number of 1-4, an amino group, a hydroxyl group or a trifluoromethyl group, and n represents an integer from 0 to 4. The process includes hydrogenating a trifluoromethylbenzonitrile by hydrogen in an organic solvent in the presence of ammonia and a catalyst containing a platinum group element. This trifluoromethylbenzonitrile is represented by the following general formula (2), 2where R and n are defined as above. With this process, it is possible to obtain the trifluoromethylbenzylamine at an extremely high yield.