76439-45-7

Basic information

• Product Name: 3-CHLORO-4-NITROPYRIDINE N-OXIDE
• Synonyms: 3-chloro-1-hydroxy-4-nitro-pyridine;3-chloro-4-nitropyridin-1-ium-1-olate;3-CHLORO-4-NITROPYRIDINE N-OXIDE;3-Chloro-4-nitro-pyridine1-oxide;3-chloro-4-nitropyridine1-oxide;4-Nitro-3-chloropyridine-N-oxide;3-chloro-4-nitro-1$l^{5}-pyridin-1-one;3-Chloro-4-Nitropyridine 1-Oxide(WXC00012)
• CAS NO: 76439-45-7
• Molecular Formula: C₅H₃ClN₂O₃
• Molecular Weight: 174.54192
• Product Categories: Heterocycle-Pyridine series;alkyl chloride|nitro-compound;pharmacetical;Pyridines
• Mol File: 76439-45-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 115 °C
• Boiling Point: 425.5oC at 760 mmHg
• Flash Point: 211.1oC
• Appearance: /
• Density: 1.62g/cm3
• Vapor Pressure: 4.71E-07mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -2.14±0.10(Predicted)
• CAS DataBase Reference: 3-CHLORO-4-NITROPYRIDINE N-OXIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-NITROPYRIDINE N-OXIDE(76439-45-7)
• EPA Substance Registry System: 3-CHLORO-4-NITROPYRIDINE N-OXIDE(76439-45-7)

Safety Data

• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 76439-45-7(Hazardous Substances Data)

Usage

General Description

3-Chloro-4-nitropyridine N-oxide is a chemical compound with the molecular formula C5H3ClN2O3. It is a derivative of pyridine that contains a nitro group and a chlorine atom. This chemical is mainly used in organic synthesis as a building block for the preparation of various pharmaceuticals, agrochemicals, and other organic compounds. It is also known for its potential as an anti-fungal and anti-bacterial agent. Additionally, 3-chloro-4-nitropyridine N-oxide has been studied for its potential use in material science and in the development of novel electronic and optoelectronic devices. Due to its unique chemical structure and versatile reactivity, this compound has gained significance in various industrial applications and research fields.

InChI:InChI=1/C5H3ClN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H

Upstream product

• 1851-22-5 3-chloropyridine-N-oxide 
• 626-60-8 3-Chloropyridine 
• 1066-33-7 ammonium bicarbonate 

Downstream Products

• 61719-62-8 N-3-ethyl-pyridine-3,4-diamine 
• 13194-60-0 3-chloro-4-nitropyridine 
• 52538-09-7 2,3-dimethylimidazo<4,5-c>pyridine 
• 7322-04-5 3-methylimidazo<4,5-c>pyridine 
• 1796-73-2 4-amino-3-N-methylaminopyridine 

Relevant articles and documents

A Journey through Hemetsberger–Knittel, Leimgruber–Batcho and Bartoli Reactions: Access to Several Hydroxy 5- and 6-Azaindoles

The preparation of various 5- and 6-azaindoles, heterocyclic structures that are frequently part of molecules in clinical development, and their monohydroxy analogues were described. Different strategies, relying on the de novo pyrrole ring formation, were investigated and, thanks to Hemetsberger–Knittel, Bartoli and Leimgruber–Batcho approaches, 4- and 7-monohydroxy 5- and 6-azaindoles were obtained. The crucial introduction of the oxygen atom was carried out from halogen derivatives, using nucleophilic substitution reactions under basic conditions with or without a copper catalyst. Some preliminary oxidation reactions have shown that it was yet not possible to synthesize the azaquinone indole structure from monohydroxy azaindole, using molecular oxygen in the presence of salcomine as a catalyst.

Substituted ring-fused imidazole derivative: GABAA receptors ligands

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