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

• 89692-57-9 6-chloro-3-nitro-benzaldehyde-(E)-oxime 
• 619-24-9 3-nitrobenzonitrile 
• 2516-96-3 2-chloro-5-nitrobenzoic acid 
• 873-32-5 2-Chlorobenzonitrile 
• 506-77-4 cyanogen chloride 
• 16588-15-1 2-chloro-5-nitro-benzamide 
• 65-45-2 salicylamide 
• 60-29-7 diethyl ether 
• 10026-13-8 phosphorus pentachloride 
• 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 

Downstream Products

• 145980-95-6 5-nitro-2-pentylamino-benzonitrile 
• 731803-59-1 N-(2-Cycano-4-nitrophenyl)-n-butylamin 
• 85020-87-7 2-cyano-4-nitro-N-methylaniline 
• 99902-82-6 2-(4-Cyano-phenoxy)-5-nitro-benzonitrile 
• 99902-80-4 2-(2-Methoxy-phenoxy)-5-nitro-benzonitrile 
• 78940-72-4 2-(4-benzoylphenoxy)-5-nitrobenzonitrile 
• 17417-09-3 2-fluoro-5-nitrobenzonitrile 
• 39835-09-1 5-nitro-2-hydroxybenzonitrile 
• 57381-56-3 2-chloro-5-fluoro-benzonitrile 
• 321534-79-6 2-acetylacetonyl-5-nitrobenzonitrile 
• 53312-85-9 acetic acid-(4-chloro-3-cyano-anilide) 

Relevant articles and documents

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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.

Synthetic process of 2-cyano-4-nitroaniline

The invention relates to a synthetic process of 2-cyano-4-nitroaniline, comprising the following steps: putting chlorobenzonitrile into a sulfuric acid medium, dropwise adding mixed acid for nitration, adding water for elutriation of a nitrated object, then filtering the nitrated object, dissolving a nitrated material in chlorobenzene, performing an ammonolysis reaction by nitre-chlorine mixed fluid and liquid ammonia, then distilling to recycle a solvent, performing suction filtration, and washing to be neutral, thus obtaining a wet product. The process is simple in step and easy to control, the obtained product is high in yield, high in purity and stable in quality, and has an environmental index capable of meeting the market need, the cost is low, sewage is little, energy consumption is reduced, and the synthetic process is a production process low in energy consumption and low in pollution.