320-42-3

Basic information

• Product Name: 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE
• Synonyms: 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE;4-Cyano-3-(trifluoromethyl)phenol, 2-Cyano-5-hydroxybenzotrifluoride;4-Hydroxy-2-(trifluoroeMthyl)benzonitrile;4-Hydroxy-2-(trifluoromethyl)
• CAS NO: 320-42-3
• Molecular Formula: C₈H₄F₃NO
• Molecular Weight: 187.12
• Product Categories: Aromatic Nitriles
• Mol File: 320-42-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 120-124℃
• Boiling Point: 297.9 °C at 760 mmHg
• Flash Point: 134 °C
• Appearance: /
• Density: 1.44 g/cm³
• Vapor Pressure: 0.00074mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 6.84±0.18(Predicted)
• CAS DataBase Reference: 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE(320-42-3)
• EPA Substance Registry System: 4-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE(320-42-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 320-42-3(Hazardous Substances Data)

Usage

General Description

4-Hydroxy-2-(trifluoromethyl)benzonitrile is a chemical compound with the molecular formula C8H4F3NO. It is a white solid that is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The presence of a hydroxyl group and a trifluoromethyl group in its structure make it a versatile building block for the production of various functionalized molecules. It is also known to have potential applications in the field of organic synthesis and medicinal chemistry due to its unique chemical properties. However, it is important to handle this chemical with care as it may pose certain health and safety hazards if not properly managed.

InChI:InChI=1/C8H4F3NO/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H

Upstream product

• 767-00-0 4-cyanophenol 
• 320-41-2 4-chloro-2-(trifluoromethyl)benzonitrile 
• 194853-86-6 4-fluoro-2-(trifluoromethyl)benzonitrile 

Downstream Products

• 1096960-88-1 C₁₄H₇ClF₃NO 
• 1417782-28-5 1-(4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl)ethan-1-one 
• 1233244-19-3 p-cyano-m-trifluoromethylphenyl triflate 
• 1076225-23-4 4-cyclohex-1-enyl-2-trifluoromethyl-benzonitrile 
• 876760-39-3 4-(2,4-difluorophenoxy)-2-(trifluoromethyl)benzonitrile 
• 1146401-69-5 dimethylthiocarbamid acid O-(4-cyano-3-trifluoromethylphenyl) ester 

Relevant articles and documents

Cu and hydroquinone for the trifluoromethylation of unprotected phenols

Fluorination and trifluoromethylation are indispensable tools in the preparation of modern pharmaceuticals and APIs. Herein we present a concept for the introduction of a trifluoromethyl group into unprotected phenols employing catalytic copper(I) iodide

A chemoenzymatic synthesis of an androgen receptor antagonist

A new scalable enzymatic resolution approach to both enantiomers of trans-2-hydroxycyclohexanecarbonitrile (9 and 11) was developed. Treatment of the racemic mixture (4) with succinic anhydride in the presence of Novozym 435 led to selective acylation of one enantiomer to the corresponding hemisuccinate, which was separated from the unreacted enantiomer by a simple basic extraction. This procedure produced the desired enantiomer in high ee, while obviating the need for chromatography or expensive catalysts and ligands. The application of this protocol to the large-scale synthesis of an androgen receptor antagonist (1) is described.

Process for producing trifluoromethylbenzylamines

The invention relates to a process for producing a trifluoromethylbenzylamine represented by the following general formula (1). This process includes hydrogenating a trifliuoromethylbenzonitrile represented by the following general formula (2) by hydrogen in an organic solvent in the presence of ammonia, using a Raney catalyst, where 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, where R and n are defined as above. With this process, it is possible to obtain the trifluoromethylbenzylamine easily and inexpensively at an extremely high yield.