7599-05-5

Basic information

• Product Name: (4-nitrophenyl)(phenyl)acetonitrile
• CAS NO: 7599-05-5
• Molecular Formula: C₁₄H₁₀N₂O₂
• Molecular Weight: 238.2414
• Mol File: 7599-05-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 400.2°C at 760 mmHg
• Flash Point: 195.9°C
• Density: 1.245g/cm³
• Vapor Pressure: 1.29E-06mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: (4-nitrophenyl)(phenyl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (4-nitrophenyl)(phenyl)acetonitrile(7599-05-5)
• EPA Substance Registry System: (4-nitrophenyl)(phenyl)acetonitrile(7599-05-5)

Safety Data

• Hazardous Substances Data: 7599-05-5(Hazardous Substances Data)

Usage

General Description

(4-nitrophenyl)(phenyl)acetonitrile, also known as 4-nitro-α-phenylbenzyl cyanide, is a chemical compound with the molecular formula C14H10N2O2. It is a yellow crystalline solid that is used in organic synthesis and as a building block for the production of other chemical compounds. It has a variety of industrial applications, including in the manufacture of pharmaceuticals, dyes, and agrochemicals. (4-nitrophenyl)(phenyl)acetonitrile is a nitrile, meaning it contains a cyano group (–C≡N) and is a common starting material for the synthesis of various organic compounds. It is important to handle this chemical with caution, as it may be hazardous if not used properly.

Upstream product

• 140-29-4 phenylacetonitrile 
• 98-95-3 nitrobenzene 
• 532-28-5 (RS)-mandelonitrile 
• 67755-90-2 Ethoxy-1-ethoxy-(phenyl)-acetonitrile 
• 110-86-1 pyridine 
• 100-00-5 4-chlorobenzonitrile 
• 32121-27-0 α-phenoxy-α-phenylacetonitrile 
• 13031-13-5 2-methoxy-2-phenylacetonitrile 
• 350-46-9 4-Fluoronitrobenzene 
• 72301-64-5 α-(2,4-Dichlorophenoxy)phenylacetonitrile 
• 89278-08-0 (4-Chloro-phenoxy)-phenyl-acetonitrile 
• 555-16-8 4-nitrobenzaldehdye 
• 100-25-4 para-dinitrobenzene 

Downstream Products

• 1144-74-7 4-nitrobenzophenone 
• 159191-20-5 3-cyano-3-(4-nitrophenyl)-3-phenylpropionyl chloride 
• 159191-22-7 3-Cyano-3-(4-nitro-phenyl)-3-phenyl-propionic acid 
• 19497-20-2 N₁,N₁,N₃,N₃-tetramethylguanidinium 
• 56577-69-6 Bis-(4-nitrophenyl)cyanomethane 
• 159191-21-6 3-Cyano-3-(4-nitro-phenyl)-3-phenyl-propionic acid ethyl ester 

Relevant articles and documents

On the Mechanism of the Vicarious Nucleophilic Substitution of Hydrogen in Nitroarenes

On the basis of the isotope effect and the effect of base on the reaction rate the main features of the mechanism of the vicarious nucleophilic substitution of hydrogen were established.The reaction proceeds via fast and reversible addition of the carbanions to the nitroarenes followed by slower base-induced β-elimination.

Simple Synthesis of Aryl p-Nitroarylacetonitriles by Vicarious Nucleophilic Substitution with Carbanions of Protected Cyanohydrins

Acetals of the cyanohydrins of aromatic aldehydes were deprotonated to generate carbanions, which were used in the vicarious nucleophilic substitution of the hydrogen atom of aromatic and heteroaromatic nitro compounds to form p-nitro-substituted diarylac

Oxidative nucleophilic substitution of hydrogen in nitroarenes with phenylacetonitrile derivatives

Tertiary carbanions generated from α-substituted phenylacetonitriles in liquid ammonia add to nitrobenzenes in the para position to form the corresponding σ(H)-adducts which are transformed, depending on the starting nitriles and the reaction conditions, to products of oxidative nucleophilic substitution of hydrogen, ONSH or vicarious nucleophilic substitution, VNS.