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

Chemical Properties

LIGHT YELLOW CRYSTALLINE POWDER

Uses

2-Chloro-5-nitrobenzonitrile was used in online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology.

General Description

2-Chloro-5-nitrobenzonitrile effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and is an alternative model substrate in GST-research.

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

Upstream product

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

Downstream Products

• 63989-40-2 N-(β-Hydroxy)ethyl-2-cyano-4-nitroanilin 
• 81676-69-9 2-cyano-4-nitro-N,N-diethylaniline 
• 85020-87-7 2-cyano-4-nitro-N-methylaniline 
• 37899-75-5 hydrochloride of 3-diethylaminopropionitrile 
• 107-13-1 acrylonitrile 
• 99902-82-6 2-(4-Cyano-phenoxy)-5-nitro-benzonitrile 
• 17417-09-3 2-fluoro-5-nitrobenzonitrile 
• 39835-09-1 5-nitro-2-hydroxybenzonitrile 
• 57381-56-3 2-chloro-5-fluoro-benzonitrile 
• 713529-43-2 2-(2,3-dihydroxy-propoxy)-5-nitro-benzonitrile 
• 34674-75-4 3-amino-5-nitrobenzo-[b]-thiophene-2-carboxylic acid methyl ester 
• 288252-06-2 2-cyclohexyloxy-5-nitro-benzonitrile 
• 288251-70-7 5-nitro-2-neopentyloxybenzonitrile 
• 288251-86-5 5-nitro-2-(piperazin-1-yl)benzonitrile 

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.

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.