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3-Fluoro-4-nitropyridine-N-oxide, a chemical compound with the molecular formula C5H3FN2O3, is a yellow crystalline solid. It is recognized for its nitro functionality, which positions it as a significant building block in organic chemistry. 3-FLUORO-4-NITROPYRIDINE-N-OXIDE is utilized in the synthesis of pharmaceuticals and agrochemicals, playing a crucial role in the development of various chemical compounds.

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  • 769-54-0 Structure
  • Basic information

    1. Product Name: 3-FLUORO-4-NITROPYRIDINE-N-OXIDE
    2. Synonyms: 3-fluoro-4-nitro-1$l^{5}-pyridin-1-one;3-fluoro-4-nitro-1-oxidopyridin-1-ium;3-fluoro-4-nitro-1-pyridin-1-one;3-fluoro-4-nitropyridin-1-ium-1-olate;3-FLUORO-4-NITROPYRIDINE-N-OXIDE;3-fluoro-4-nitro-, 1-oxide
    3. CAS NO:769-54-0
    4. Molecular Formula: C5H3FN2O3
    5. Molecular Weight: 158.09
    6. EINECS: 1533716-785-6
    7. Product Categories: Pyridine;Pyridines;Fluorine series;alkyl Fluorine| nitro-compound
    8. Mol File: 769-54-0.mol
  • Chemical Properties

    1. Melting Point: 122℃
    2. Boiling Point: 417.9 °C at 760 mmHg
    3. Flash Point: 206.5 °C
    4. Appearance: /
    5. Density: 1.56
    6. Vapor Pressure: 8.3E-07mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: Sealed in dry,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: -2.08±0.10(Predicted)
    11. CAS DataBase Reference: 3-FLUORO-4-NITROPYRIDINE-N-OXIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-FLUORO-4-NITROPYRIDINE-N-OXIDE(769-54-0)
    13. EPA Substance Registry System: 3-FLUORO-4-NITROPYRIDINE-N-OXIDE(769-54-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 769-54-0(Hazardous Substances Data)

769-54-0 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Fluoro-4-nitropyridine-N-oxide is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs. Its unique structure allows for the creation of molecules with specific therapeutic properties, making it valuable in medicinal chemistry.
Used in Agrochemical Production:
In the agrochemical industry, 3-Fluoro-4-nitropyridine-N-oxide is employed as a precursor in the production of pesticides and other agrochemicals. Its incorporation aids in the design of compounds that can effectively control pests and diseases in agriculture, thereby enhancing crop protection.
Used as a Reagent in Organic Chemistry:
3-Fluoro-4-nitropyridine-N-oxide also serves as a reagent in organic chemistry, facilitating various chemical reactions. Its presence can influence the course of synthesis, leading to the formation of desired products in organic processes.
Safety Considerations:
Given its potentially hazardous nature, 3-Fluoro-4-nitropyridine-N-oxide should be handled with care in laboratory settings. Proper safety measures, including the use of personal protective equipment and adherence to laboratory safety protocols, are essential to minimize risks associated with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 769-54-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,6 and 9 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 769-54:
(5*7)+(4*6)+(3*9)+(2*5)+(1*4)=100
100 % 10 = 0
So 769-54-0 is a valid CAS Registry Number.
InChI:InChI=1/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H

769-54-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-fluoro-4-nitro-1-oxidopyridin-1-ium

1.2 Other means of identification

Product number -
Other names 3-Fluoro-4-nitropyridine 1-oxide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:769-54-0 SDS

769-54-0Relevant articles and documents

PYRAZINE COMPOUND

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Paragraph 0247, (2019/07/11)

PROBLEM TO BE SOLVED: To provide a compound showing improved control activity on various pests or its salt. SOLUTION: The present invention provides a pyrazine compound having a 4-pyridyl group represented by formula (1) or its salt. SELECTED DRAWING: None COPYRIGHT: (C)2019,JPOandINPIT

SYNTHESIS OF META-SUBSTITUTED [18F]-3-FLUORO-4-AMINOPYRIDINES BY DIRECT RADIOFLUORINATION OF PYRIDINE N-OXIDES

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Paragraph 0054, (2018/01/19)

Disclosed herein are methods for the fluorination aromatic N-heterocyclic N-oxides that comprise at least one leaving group. The N-oxides may be reduced to the fluorinated aromatic N-heterocyclic amine analogs. This novel fluorination approach may be successfully applied for synthesizing aromatic N-heterocyclic compounds labeled with 18F.

Synthesis of: Meta -substituted [18F]3-fluoro-4-aminopyridine via direct radiofluorination of pyridine N -oxides

Brugarolas,Freifelder,Cheng,Dejesus

supporting information, p. 7150 - 7152 (2016/06/09)

Due to their electron-rich aromatic structure, nucleophilic (radio)fluorination of pyridines is challenging, especially at the meta position. In this paper, we describe the first example of direct fluorination of a pyridine N-oxide to produce a meta fluorinated pyridine. Specifically, fluorination of 3-bromo-4-nitropyridine N-oxide produced in several minutes 3-fluoro-4-nitropyridine N-oxide in moderate yield at room temperature. This intermediate compound was later converted to 3-fluoro-4-aminopyridine easily by catalytic hydrogenation. Furthermore, this approach was successfully applied for labeling with fluorine-18. The use of pyridine N-oxides for the preparation of fluoropyridines is unprecedented in the chemical literature and has the potential to offer a new way for the synthesis of these important structures in pharmaceuticals and radiopharmaceuticals.

COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY

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Page/Page column 85; 86, (2014/01/08)

The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating EGFR activity, as well as methods for using such compounds to treat, ameliorate or prevent a condition associated with abnormal or deregulated EGFR activity.

Chemical compounds

-

Page/Page column 42, (2008/06/13)

Compounds of formula (I): compositions comprising them, processes for preparing them and their use in medical therapy (for example modulating CCR5 receptor activity in a warm blooded animal).

Tropane derivatives useful in therapy

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Page 32, (2008/06/13)

The present invention provides compounds of formula (I) wherein X, Y, R1, R2 and R3 are as defined hereinabove. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors. Modulators of the CCR5 receptor may be useful in the treatment of various inflammatory diseases and conditions, and in the treatment of infection by HIV and genetically related retroviruses.

Novel non-convalent thrombin inhibitors

-

, (2008/06/13)

The present invention provides compounds which have a pyrazinone or pyridinone ring at P3 and an optionally substituted heteroaryl group at P1. These compounds have biological activity as active and potent inhibitors of thrombin. Their pharmaceutically acceptable salts, pharmaceutical compositions thereof and methods of using these compounds and pharmaceutical compositions comprising these compounds as therapeutic agents for treatment of disease states in mammals which are characterized by abnormal thrombosis are also described.

Potential anxiolytic agents. 2. Improvement of oral efficacy for the pyrido[1,2-a]benzimidazole (PBI) class of GABA-A receptor modulators

Maryanoff,McComsey,Ho,Shank,Dubinsky

, p. 333 - 338 (2007/10/03)

We have further explored the structure-activity relationships of pyrido[1,2-α]benzimidazole (PBI) derivatives (viz. prototype 1), a novel series of central GABA-A receptor modulators, with the intent of enhancing oral efficacy. A study involving the introduction of acidic or basic groups led to the identification of RWJ-38293 (3a) as a potential anxiolytic agent.

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