17076-68-5

Basic information

• Product Name: 4-(4-NITROPHENOXY)BENZONITRILE
• Synonyms: 4-(4-NITROPHENOXY)BENZONITRILE
• CAS NO: 17076-68-5
• Molecular Formula: C₁₃H₈N₂O₃
• Molecular Weight: 240.21
• Mol File: 17076-68-5.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 391.6°Cat760mmHg
• Flash Point: 190.6°C
• Appearance: /
• Density: 1.34g/cm³
• Vapor Pressure: 2.44E-06mmHg at 25°C
• Refractive Index: 1.635
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-(4-NITROPHENOXY)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-NITROPHENOXY)BENZONITRILE(17076-68-5)
• EPA Substance Registry System: 4-(4-NITROPHENOXY)BENZONITRILE(17076-68-5)

Safety Data

• Hazardous Substances Data: 17076-68-5(Hazardous Substances Data)

Usage

Description

4-(4-NITROPHENOXY)BENZONITRILE, with the molecular formula C13H8N2O3, is a nitrophenyl benzene derivative that serves as a crucial precursor in the synthesis of a variety of organic compounds. Its chemical structure endows it with versatile properties, making it a valuable building block for the development of new drugs, pesticides, and other biologically active compounds.

Uses

Used in Pharmaceutical Industry:
4-(4-NITROPHENOXY)BENZONITRILE is used as a chemical intermediate for the synthesis of new drugs, given its potential to contribute to the development of biologically active compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(4-NITROPHENOXY)BENZONITRILE is utilized as a precursor in the production of pesticides, highlighting its role in creating effective and novel agrochemicals.
Used in Materials Science:
4-(4-NITROPHENOXY)BENZONITRILE is employed in materials science for its potential applications in creating new materials, taking advantage of its unique chemical structure and properties.
Used as a Reagent in Organic Chemistry Reactions:
4-(4-NITROPHENOXY)BENZONITRILE also serves as a reagent in various organic chemistry reactions, facilitating important processes in the synthesis of complex organic molecules.
Due to its diverse applications and the potential for further research and development, 4-(4-NITROPHENOXY)BENZONITRILE holds significant interest for scientists across different fields.

InChI:InChI=1/C13H8N2O3/c14-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)15(16)17/h1-8H

Upstream product

• 90149-61-4 p-cyanophenyl n-dodecanoate 
• 350-46-9 4-Fluoronitrobenzene 
• 636-98-6 p-nitrobenzene iodide 
• 767-00-0 4-cyanophenol 
• 3328-57-2 sodium 4-cyanophenolate 
• 5070-13-3 bis-(p-nitrophenyl) carbonate 
• 86031-12-1 bis(4-cyanophenyl)carbonate 
• 586-78-7 para-nitrophenyl bromide 
• 35719-43-8 potassium salt of 4-acetamidophenol 
• 2687-40-3 4-nitrophenyl 4'-acetamidophenyl ether 
• 100-02-7 4-nitro-phenol 
• 623-00-7 4-bromobenzenecarbonitrile 
• 1194-02-1 4-fluorobenzonitrile 
• 623-03-0 4-Cyanochlorobenzene 

Downstream Products

• 17076-69-6 4-amino-4'-cyanodiphenyl ether 

Relevant articles and documents

P(i-BuNCH2CH2)3N: An efficient promoter for the nucleophilic aromatic substitution reaction of aryl fluorides with aryl TBDMS (or TMS) ethers

(Chemical Equation Presented) The nucleophilic aromatic substitution reaction between electron-deficient aryl fluorides and aryl TBDMS (or TMS) ethers has been shown to be efficiently promoted by proazaphosphatranes such as P(i-BuNCH2CH2)3N (3). Excellent yields of diaryl ether products were obtained under unusually mild conditions.

Ullmann reaction through ecocatalysis: Insights from bioresource and synthetic potential

We report the elaboration of novel bio-sourced ecocatalysts for the Ullmann coupling reaction. Ecocatalysis is based on the recycling of metals issued from phytoremediation or rehabilitation, and an innovative chemical valorization of the subsequent biomass in the field of catalysis. Here, we describe efficient copper accumulation by plants via phytoextraction and rhizofiltration. These phytotechnologies were revisited to demonstrate a novel potential of these natural resources for green chemistry. Taking advantage of the remarkable ability of the selected plants to accumulate Cu(ii) species into their roots or leaves, the latter can be directly used for the preparation of ecocatalysts, called Eco-Cu. The formed Eco-Cu catalysts are thoroughly characterized via ICP-MS, IR studies of pyridine sorption/desorption, TEM, XRD, SM and model reactions, in order to elucidate the chemical composition and catalytic activity of these new materials. Significant differences of properties and activities were observed between Eco-Cu and conventional Cu catalysts. Eco-Cu are highly active catalysts in Ullmann coupling reactions with lower Cu quantities compared to known copper catalysts.

Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors

Structure-based virtual screening of a commercial library identified pentanedioic acid derivatives (6 and 13b) as a kind of novel scaffold farnesyltransferase inhibitors (FTIs). Chemical modifications of the lead compounds, biological assays and analysis of the structure-activity relationships (SAR) were conducted to discover more potent FTIs. Some of them displayed excellent inhibition against FTase, and among them, the most active compound 13n with an IC50 value of 0.0029 μM and SAR analysis might be helpful to the discovery of more potent FTIs. This journal is