34662-32-3

Basic information

• Product Name: 4-Chloro-2-nitrobenzonitrile
• Synonyms: 4-CHLORO-2-NITROBENZONITRILE;2-NITRO-4-CHLOROBENZONITRILE;5-Chloro-2-cyanonitrobenzene
• CAS NO: 34662-32-3
• Molecular Formula: C₇H₃ClN₂O₂
• Molecular Weight: 182.56
• EINECS: 252-133-0
• Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Nitriles
• Mol File: 34662-32-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 99-101
• Boiling Point: 313.5 °C at 760 mmHg
• Flash Point: 143.4 °C
• Appearance: /
• Density: 1.47 g/cm³
• Vapor Pressure: 0.000496mmHg at 25°C
• Refractive Index: 1.599
• CAS DataBase Reference: 4-Chloro-2-nitrobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-2-nitrobenzonitrile(34662-32-3)
• EPA Substance Registry System: 4-Chloro-2-nitrobenzonitrile(34662-32-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-24/25
• WGK Germany: 3
• Hazardous Substances Data: 34662-32-3(Hazardous Substances Data)

Usage

General Description

4-Chloro-2-nitrobenzonitrile is a chemical compound with the molecular formula C7H3ClN2O2. It is a pale yellow to yellow solid with a faint odor, and it is primarily used as an intermediate in the synthesis of pharmaceuticals, dyes, and agrochemicals. This chemical is a nitrile, which means it contains a carbon-nitrogen triple bond, and it also contains a nitro group and a chlorine atom. It is important to handle 4-Chloro-2-nitrobenzonitrile with caution, as it may be harmful if swallowed, inhaled, or absorbed through the skin, and it can cause irritation to the respiratory system and skin. Proper protective measures should be taken when handling this chemical.

InChI:InChI=1/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H

Upstream product

• 64-19-7 acetic acid 
• 89-63-4 4-Chloro-2-nitroaniline 
• 41994-91-6 4-chloro-2-nitrobenzoic amide 
• 5551-11-1 4-Chloro-2-nitrobenzaldehyde 
• 13472-08-7 azobis(2-cyanobutane) 
• 6280-88-2 4-chloro-2-nitro-benzoic acid 
• 109-77-3 malononitrile 
• 89-61-2 2,5-dichloronitrobenzene 
• 41995-04-4 4-chloro-2-nitro-benzoyl chloride 

Downstream Products

• 873414-67-6 4-chloro-2-p-tolylsulfanyl-benzonitrile 
• 6280-88-2 4-chloro-2-nitro-benzoic acid 
• 38487-86-4 2-amino-4-chlorobenzonitrile 
• 5900-59-4 2-amino-4-chlorobenzamide 
• 41994-91-6 4-chloro-2-nitrobenzoic amide 
• 28340-71-8 4-morpholin-4-yl-2-nitro-benzonitrile 
• 67567-43-5 4-chloro-2-nitro-benzenemethanamine 
• 89692-53-5 3-amino-6-chloro-1,2-benzisoxazole 
• 1297538-05-6 2-nitro-4-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)benzonitrile 
• 1297538-12-5 4-(1-(2-aminoethyl)-1H-pyrazol-3-yl)-2-nitrobenzonitrile hydrochloride 
• 1297538-10-3 tert-butyl 2-(3-(4-cyano-3-nitrophenyl)-1H-pyrazol-1-yl)ethylcarbamate 
• 1297538-06-7 2-nitro-4-(1H-pyrazol-5-yl)benzonitrile 
• 6574-98-7 2,4-dichlorobenzylnitrile 

Relevant articles and documents

Copper-Catalyzed One-Pot Synthesis of Quinazolinones from 2-Nitrobenzaldehydes with Aldehydes: Application toward the Synthesis of Natural Products

A novel, efficient, and atom-economical approach for the construction of quinazolinones from 2-nitrobenzaldehydes has been unveiled via copper-catalyzed nitrile formation, hydrolysis, and reduction in one pot for the first time. In this reaction, urea is used as a source of nitrogen for nitrile formation, hydrazine hydrate is used for both the reduction of the nitro group and the hydrolysis of nitrile, and atmospheric oxygen is used as the sole oxidant. The method portrays a wide substrate scope with good functional group tolerances. Moreover, this method was applied for the synthesis of schizocommunin, tryptanthrin, phaitanthrin-A, phaitanthrin-B, and 8H-quinazolino[4,3-b]quinazolin-8-one.

Method for synthesizing aryl cyanide by taking aryl carboxylic acid as raw material

The invention discloses a method for synthesizing aryl cyanide by taking aryl carboxylic acid as a raw material, which is characterized in that aryl cyanide is synthesized by taking aryl carboxylic acid as a raw material, taking a combination of NH4X and N, N-dimethylformamide as a cyanide source and taking silver sulfate and copper acetate as catalysts under the action of acid and oxygen. Compared with a conventional aryl cyanide synthesis method, the method disclosed by the invention has the advantages that reaction raw materials (aryl carboxylic acid, NH4X and N, N-dimethylformamide) are cheap and easy to obtain, and the dosage of a metal catalyst is small; meanwhile, oxygen is used as an oxidizing agent, so that the method has the obvious advantages of small environmental pollution, good tolerance to various functional groups on an aromatic ring, high yield and the like; the method disclosed by the invention can be widely applied to synthesis of medicines, functional materials, natural products and other fields in the industry and academic circles.

Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.