Cas no 1807211-77-3 (3-Bromo-2-fluoro-4-nitropyridine)

3-Bromo-2-fluoro-4-nitropyridine is a halogenated nitropyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its distinct substitution pattern—bromo, fluoro, and nitro groups at the 3, 2, and 4 positions, respectively—enhances its reactivity as an intermediate in cross-coupling reactions, nucleophilic substitutions, and other functionalization processes. The electron-withdrawing nitro group further facilitates regioselective modifications, making it valuable for constructing complex heterocyclic frameworks. This compound’s high purity and stability under standard conditions ensure reliable performance in research and industrial applications. Its versatility in medicinal chemistry, particularly in the development of bioactive molecules, underscores its importance as a specialized building block.
3-Bromo-2-fluoro-4-nitropyridine structure
1807211-77-3 structure
Product Name:3-Bromo-2-fluoro-4-nitropyridine
CAS No:1807211-77-3
MF:C5H2BrFN2O2
MW:220.983983516693
CID:4900706
Update Time:2025-05-20

3-Bromo-2-fluoro-4-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-2-fluoro-4-nitropyridine
    • Inchi: 1S/C5H2BrFN2O2/c6-4-3(9(10)11)1-2-8-5(4)7/h1-2H
    • InChI Key: PLCJHGPBVOENDW-UHFFFAOYSA-N
    • SMILES: BrC1C(=NC=CC=1[N+](=O)[O-])F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 163
  • XLogP3: 1.8
  • Topological Polar Surface Area: 58.7

3-Bromo-2-fluoro-4-nitropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029013245-250mg
3-Bromo-2-fluoro-4-nitropyridine
1807211-77-3 95%
250mg
$970.20 2022-03-31
Alichem
A029013245-1g
3-Bromo-2-fluoro-4-nitropyridine
1807211-77-3 95%
1g
$3,184.50 2022-03-31

Additional information on 3-Bromo-2-fluoro-4-nitropyridine

3-Bromo-2-fluoro-4-nitropyridine (CAS No: 1807211-77-3)

3-Bromo-2-fluoro-4-nitropyridine, also known by its CAS number 1807211-77-3, is a heterocyclic aromatic compound with significant applications in organic synthesis and materials science. This compound is characterized by its pyridine ring substituted with bromine, fluorine, and nitro groups at specific positions, which impart unique chemical and physical properties. The presence of these substituents makes it a valuable intermediate in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials.

The molecular structure of 3-Bromo-2-fluoro-4-nitropyridine consists of a pyridine ring with bromine at position 3, fluorine at position 2, and a nitro group at position 4. These substituents significantly influence the electronic properties of the molecule. The nitro group is a strong electron-withdrawing group, which increases the electrophilicity of the pyridine ring. The bromine and fluorine atoms contribute to the molecule's stability and reactivity due to their inductive effects. This combination of substituents makes the compound highly versatile in various chemical reactions.

Recent studies have highlighted the potential of 3-Bromo-2-fluoro-4-nitropyridine in the development of novel materials for optoelectronic applications. Researchers have explored its use as a building block for constructing conjugated systems with tailored electronic properties. For instance, its incorporation into polymer frameworks has shown promise for improving charge transport characteristics in organic photovoltaics and light-emitting diodes (OLEDs). The compound's ability to undergo various substitution reactions further enhances its utility in these applications.

In terms of chemical synthesis, 3-Bromo-2-fluoro-4-nitropyridine is often synthesized via multi-step processes involving nucleophilic aromatic substitution or electrophilic substitution reactions. The choice of synthesis pathway depends on the availability of starting materials and the desired regioselectivity. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and improving yield.

The physical properties of 3-Bromo-2-fluoro-4-nitropyridine include a melting point of approximately 155°C and a boiling point around 300°C under standard conditions. It is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and acetonitrile. These solubility characteristics make it suitable for use in various organic reaction media.

The chemical reactivity of 3-Bromo-2-fluoro-4-nitropyridine is influenced by the electron-withdrawing nature of its substituents. It undergoes nucleophilic aromatic substitution readily due to the activation of specific positions on the pyridine ring by the nitro group. Additionally, it can participate in coupling reactions, such as Suzuki-Miyaura cross-coupling, which are widely used in drug discovery and material synthesis.

In terms of applications, 3-Bromo-2-fluoro-4-nitropyridine has found significant use as an intermediate in pharmaceutical chemistry. Its role as a precursor for bioactive compounds has been well-documented in recent literature. For example, it has been employed in the synthesis of antiviral agents and anticancer drugs due to its ability to form stable bonds with nitrogen-containing heterocycles.

Beyond pharmaceuticals, this compound has also gained attention in agrochemical research. Its derivatives have been studied for their potential as herbicides and fungicides. The unique electronic properties imparted by its substituents contribute to its effectiveness in these applications.

The environmental impact of 3-Bromo-2-fluoro-4-nitropyridine is a topic of ongoing research. Studies have focused on its biodegradation pathways and potential toxicity to aquatic organisms. While preliminary data suggest that it is not highly toxic under normal conditions, further investigations are required to fully understand its environmental fate.

In conclusion, 3-Bromo-2-fluoro-4-nitropyridine, with its CAS number 1807211

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