16588-02-6

Basic information

• Product Name: 2-Chloro-5-nitrobenzonitrile
• Synonyms: 2-chlor-5-nitrobenzonitril;2-chloro-5-nitro-benzonitril;2-Chloro-5-nitrophenylcarbonitrle;2-CHLORO-5-NITROBENZONITRILE;BENZONITRILE, 2-CHLORO-5-NITRO-;1-CHLORO-2-CYANO-4-NITROBENZENE;2-chlor-5-nitrobenzonitrile;4-Chloro-3-cyano-1-nitrobenzene
• CAS NO: 16588-02-6
• Molecular Formula: C₇H₃ClN₂O₂
• Molecular Weight: 182.56
• EINECS: 240-643-6
• Product Categories: blocks;Carboxes;NitroCompounds;Aromatic Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds;API Intermediate
• Mol File: 16588-02-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 105-107 °C(lit.)
• Boiling Point: 122 °C / 0.6mmHg
• Flash Point: 135.4 °C
• Appearance: Light yellow crystalline powder
• Density: 1.6133 (rough estimate)
• Vapor Pressure: 0.00113mmHg at 25°C
• Refractive Index: 1.5557 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1818642
• CAS DataBase Reference: 2-Chloro-5-nitrobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-5-nitrobenzonitrile(16588-02-6)
• EPA Substance Registry System: 2-Chloro-5-nitrobenzonitrile(16588-02-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36
• RIDADR: 3276
• WGK Germany: 3
• RTECS: DI3040000
• HazardClass: IRRITANT
• Hazardous Substances Data: 16588-02-6(Hazardous Substances Data)

Usage

Description

2-Chloro-5-nitrobenzonitrile is a light yellow crystalline powder that effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and serves as an alternative model substrate in GST-research.

Uses

Used in Pharmaceutical Research:
2-Chloro-5-nitrobenzonitrile is used as a model substrate for the online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology. This application aids in the study and understanding of GST isoenzymes, which play a crucial role in the detoxification process and are linked to various diseases.
Used in Biochemical Analysis:
In the field of biochemical analysis, 2-Chloro-5-nitrobenzonitrile is utilized as a conjugating agent with rat GST isoenzymes, providing insights into the enzyme's function and its interaction with potential inhibitors. This information is valuable for the development of new drugs and therapies targeting GST-related conditions.

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

Upstream product

• 2516-96-3 2-chloro-5-nitrobenzoic acid 
• 873-32-5 2-Chlorobenzonitrile 
• 619-24-9 3-nitrobenzonitrile 
• 506-77-4 cyanogen chloride 
• 16588-15-1 2-chloro-5-nitro-benzamide 
• 60-29-7 diethyl ether 
• 10026-13-8 phosphorus pentachloride 
• 89692-57-9 6-chloro-3-nitro-benzaldehyde-(E)-oxime 
• 141-52-6 sodium ethanolate 
• 7697-37-2 nitric acid 
• 6361-21-3 2-chloro-5-nitrobenzaldehyde 
• 872276-09-0 2-chloro-5-nitro-benzaldehyde chlorimin 
• 65-45-2 salicylamide 

Downstream Products

• 63989-40-2 N-(β-Hydroxy)ethyl-2-cyano-4-nitroanilin 
• 145980-95-6 5-nitro-2-pentylamino-benzonitrile 
• 73105-48-3 1-methyl-5-nitro-1H-indazol-3-ylamine 
• 85020-87-7 2-cyano-4-nitro-N-methylaniline 
• 81676-69-9 2-cyano-4-nitro-N,N-diethylaniline 
• 37899-75-5 hydrochloride of 3-diethylaminopropionitrile 
• 107-13-1 acrylonitrile 
• 99902-82-6 2-(4-Cyano-phenoxy)-5-nitro-benzonitrile 
• 99902-79-1 2-(4-Methoxy-phenoxy)-5-nitro-benzonitrile 
• 99902-80-4 2-(2-Methoxy-phenoxy)-5-nitro-benzonitrile 
• 17417-10-6 2-cyano-4-nitro-N,N-dimethylaniline 
• 18076-02-3 hydrochloride of 3-dimethylaminopropionitrile 
• 63989-44-6 2-[(2-Hydroxy-ethyl)-methyl-amino]-5-nitro-benzonitrile 
• 148331-73-1 4-nitro-2-cyanophenyl phenyl sulfide 

Relevant articles and documents

-

-

Method and device for preparing 2-chloro-5-nitrobenzonitrile in pipeline

The invention discloses a method and a device for preparing 2-chloro-5-nitrobenzonitrile in a pipeline. The device comprises a storage tank, a nitrogen oxide steel cylinder, an ozone generator, a flowpump, a gas flowmeter, a reaction pipeline filled with a catalyst, a mixer, a cooling system, a heating system, a backpressure valve and a receiving tank. The method comprises the following steps: dissolving a raw material 2-chlorobenzonitrile in an organic solvent and adding the mixture into the storage tank; opening the cooling system and the heating system; opening the ozone generator and adjusting the backpressure value; mixing the raw material 2-chlorobenzonitrile and nitrogen dioxide through the mixer and feeding the mixture into the reaction pipeline for a nitrification reaction; and carrying out post-treatment to obtain 2-chloro-5-nitrobenzonitrile. The method is simple to operate, mild in reaction condition, quick to transfer mass and heat, simple in post-treatment, high in safety and good in economical benefit, the catalyst can be repeatedly used, and the method is a green and environment-friendly process suitable for industrial production.

New nitration technology used in production of 2-cyano-4-nitro chlorobenzene

The invention belongs to the field of chemical industry, and relates to a new nitration technology used in production of 2-cyano-4-nitro chlorobenzene. The new nitration technology takes o-chlorobenzonitrile as a raw material and uses mixed acid prepared from medium-concentration sulfuric acid and medium-concentration nitric acid as a solvent, and comprises the steps of dissolving the o-chlorobenzonitrile by using the solvent, and carrying out a nitration reaction at the medium temperature. The new nitration technology completely overcomes the defects that in the traditional technology, the electric energy consumption is high since high-concentration sulfuric acid and high-concentration nitric acid are used for carrying out the nitration reaction at low temperature, and the quality of the 2-cyano-4-nitro chlorobenzene is reduced if the temperature is slightly high.