Cas no 1956318-49-2 (4-Bromo-3-nitropyridine hydrobromide)

4-Bromo-3-nitropyridine hydrobromide is a brominated and nitrated pyridine derivative, primarily utilized as an intermediate in organic synthesis and pharmaceutical research. Its key advantages include high reactivity due to the presence of both bromo and nitro functional groups, which facilitate further substitution and coupling reactions. The hydrobromide salt form enhances stability and solubility, making it suitable for controlled reactions in various solvents. This compound is particularly valuable in the development of heterocyclic compounds and active pharmaceutical ingredients (APIs). Its well-defined structure and consistent purity ensure reliable performance in synthetic applications, supporting advancements in medicinal chemistry and material science.
4-Bromo-3-nitropyridine hydrobromide structure
1956318-49-2 structure
Product Name:4-Bromo-3-nitropyridine hydrobromide
CAS No:1956318-49-2
MF:C5H4Br2N2O2
MW:283.905
CID:4670741
PubChem ID:73554430
Update Time:2025-05-22

4-Bromo-3-nitropyridine hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-nitropyridine hydrobromide
    • Pyridine, 4-bromo-3-nitro-, hydrobromide
    • DS-7948
    • 4-Bromo-3-nitropyridinehydrobromide
    • 4-bromo-3-nitropyridine;hydrobromide
    • AKOS022186469
    • 1956318-49-2
    • Inchi: InChI=1S/C5H3BrN2O2.BrH/c6-4-1-2-7-3-5(4)8(9)10;/h1-3H;1H
    • InChI Key: CZGZNQXPZFPPLN-UHFFFAOYSA-N
    • SMILES: C1=CN=CC(=C1Br)[N+](=O)[O-].Br

Computed Properties

  • Exact Mass: 283.86190g/mol
  • Monoisotopic Mass: 281.86395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.7?2

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Additional information on 4-Bromo-3-nitropyridine hydrobromide

Comprehensive Overview of 4-Bromo-3-nitropyridine Hydrobromide (CAS No. 1956318-49-2)

4-Bromo-3-nitropyridine hydrobromide (CAS No. 1956318-49-2) is a specialized organic compound widely utilized in pharmaceutical research, agrochemical development, and material science. Its molecular structure, featuring a bromine and nitro functional group on a pyridine ring, makes it a versatile intermediate for synthesizing complex molecules. Researchers and industries value this compound for its reactivity and potential applications in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents.

The growing demand for heterocyclic compounds like 4-Bromo-3-nitropyridine hydrobromide is driven by advancements in medicinal chemistry and catalysis. Recent trends highlight its role in click chemistry and cross-coupling reactions, which are pivotal for creating novel therapeutics. With the rise of AI-driven drug discovery, this compound has gained attention for its potential in virtual screening and molecular docking studies, addressing common search queries such as "pyridine derivatives in drug design" or "nitropyridine applications in pharmaceuticals."

From a synthetic perspective, CAS No. 1956318-49-2 is often employed in palladium-catalyzed reactions, including Suzuki-Miyaura and Buchwald-Hartwig couplings. These methodologies align with the industry's shift toward green chemistry, as researchers seek eco-friendly alternatives for halogenated intermediates. Its hydrobromide salt form enhances solubility, making it suitable for aqueous-phase reactions—a topic frequently explored in forums discussing "water-soluble pyridine derivatives."

Analytical characterization of 4-Bromo-3-nitropyridine hydrobromide typically involves NMR spectroscopy, HPLC, and mass spectrometry, ensuring high purity for critical applications. Quality control protocols are essential, as impurities can affect downstream reactions—a concern often raised in searches like "how to purify nitropyridine compounds." Suppliers emphasize batch-to-batch consistency, catering to labs focused on high-throughput screening and combinatorial chemistry.

Beyond pharmaceuticals, this compound finds niche uses in electronic materials, particularly in the synthesis of organic semiconductors and ligands for metal-organic frameworks (MOFs). Its electron-withdrawing properties are leveraged to tune material conductivity, a hot topic in searches related to "pyridine-based conductive polymers." As sustainable energy solutions gain traction, the role of such intermediates in photovoltaic research is increasingly scrutinized.

Storage and handling of CAS No. 1956318-49-2 require adherence to standard laboratory practices, with recommendations for desiccated conditions to prevent hydrolysis. Safety data sheets (SDS) provide detailed guidance, addressing common user questions like "stability of brominated nitropyridines." Regulatory compliance, including REACH and FDA guidelines, ensures its safe use in global markets.

In summary, 4-Bromo-3-nitropyridine hydrobromide exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted applications—from drug discovery to advanced materials—reflect broader scientific trends, making it a compound of enduring relevance. For researchers exploring "pyridine modification techniques" or "nitroheterocycle synthesis," this intermediate offers a robust platform for innovation.

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