124811-71-8

Basic information

• Product Name: 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE
• Synonyms: 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE;4-Hydroxy-3-(trifluoroMethyl)benzonitrile, 98+%;4-Cyano-2-(trifluoromethyl)phenol, 5-Cyano-2-hydroxybenzotrifluoride
• CAS NO: 124811-71-8
• Molecular Formula: C₈H₄F₃NO
• Molecular Weight: 187.12
• Product Categories: Aromatic Nitriles
• Mol File: 124811-71-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 171-175℃
• Boiling Point: 256.011 °C at 760 mmHg
• Flash Point: 108.632 °C
• Appearance: White solid
• Density: 1.444 g/cm³
• Vapor Pressure: 0.00983mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 5.85±0.43(Predicted)
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE(124811-71-8)
• EPA Substance Registry System: 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZONITRILE(124811-71-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 124811-71-8(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline

Uses

As intermediate in organic syntheses. A novel electrolyte additive for lithium nickel manganese oxide cathode of high voltage lithium ion battery. It is oxidized preferably to carbonate solvents forming a low-impedance protective film.

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

Upstream product

• 444-30-4 2-(trifluoromethyl)phenol 
• 50824-04-9 4-bromo-2-(trifluoromethyl)phenol 
• 1735-54-2 4-chloro-3-(trifluoromethyl)benzonitrile 
• 1735-53-1 4-bromo-3-(trifluoromethyl)benzonitrile 
• 767-00-0 4-cyanophenol 
• 261951-87-5 4-methoxy-3-(trifluoromethyl)benzonitrile 

Downstream Products

• 1233500-08-7 4-cyano-2-(trifluoromethyl)phenyl trifluoromethanesulfonate 
• 1005408-90-1 4-(octyloxy)-3-(trifluoromethyl)benzonitrile 
• 1311232-70-8 (R)-3-(4-(3-(4-(tetrahydrofuran-3-yloxy)-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)propanoic acid 

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

Photoinduced Hydroxylation of Organic Halides under Mild Conditions

Presented in this paper is photoinduced hydroxylation of organic halides, providing a mild access to a range of functionalized phenols and aliphatic alcohols. These reactions generally proceed under mild reaction conditions with no need for a photocatalyst or a strong base and show a wide substrate scope as well as excellent functional group tolerance. This work highlights the unique role of NaI that allows a challenging transformation to proceed under mild reaction conditions.

NOVEL OXADIAZOLE COMPOUNDS

Novel oxadiazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions as agonists or antagonists of the S1P family of G protein-coupled receptors for treating diseases associated with modulation o