Cas no 1416440-63-5 (5-bromo-3-fluoro-quinoline)

5-Bromo-3-fluoro-quinoline is a halogenated quinoline derivative with significant utility in pharmaceutical and agrochemical research. The presence of both bromo and fluoro substituents enhances its reactivity, making it a versatile intermediate for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig amination. Its electron-withdrawing properties facilitate further functionalization, enabling the synthesis of complex heterocyclic compounds. The compound's stability and well-defined structure make it suitable for use in medicinal chemistry, particularly in the development of bioactive molecules. Its high purity and consistent performance ensure reliable results in synthetic applications. This compound is particularly valuable for researchers exploring novel quinolines with tailored electronic and steric properties.
5-bromo-3-fluoro-quinoline structure
5-bromo-3-fluoro-quinoline structure
Product Name:5-bromo-3-fluoro-quinoline
CAS No:1416440-63-5
MF:C9H5BrFN
MW:226.04510474205
MDL:MFCD22690577
CID:1016079
PubChem ID:71742997
Update Time:2025-11-07

5-bromo-3-fluoro-quinoline Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-3-fluoroquinoline
    • 5-bromo-3-fluoro-quinoline
    • MFCD22690577
    • 1416440-63-5
    • DTXSID801309750
    • Quinoline, 5-bromo-3-fluoro-
    • SB72104
    • A885589
    • AKOS025146677
    • AS-41432
    • SCHEMBL23360155
    • SY241193
    • CS-0196779
    • AMY26263
    • MDL: MFCD22690577
    • Inchi: 1S/C9H5BrFN/c10-8-2-1-3-9-7(8)4-6(11)5-12-9/h1-5H
    • InChI Key: WDWPSSWYBURXPI-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2C1=CC(=CN=2)F

Computed Properties

  • Exact Mass: 224.95894g/mol
  • Monoisotopic Mass: 224.95894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 12.9?2

5-bromo-3-fluoro-quinoline Pricemore >>

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Additional information on 5-bromo-3-fluoro-quinoline

Comprehensive Overview of 5-Bromo-3-fluoro-quinoline (CAS No. 1416440-63-5): Properties, Applications, and Market Trends

5-Bromo-3-fluoro-quinoline (CAS No. 1416440-63-5) is a halogenated quinoline derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound's molecular formula, C9H5BrFN, combines a bromine atom at the 5-position and a fluorine atom at the 3-position, enhancing its reactivity and bioactivity. This article explores its synthesis, applications, and relevance in modern scientific advancements, addressing frequently searched queries like "5-bromo-3-fluoro-quinoline uses" and "CAS 1416440-63-5 suppliers."

The synthesis of 5-Bromo-3-fluoro-quinoline typically involves palladium-catalyzed cross-coupling reactions or direct halogenation of quinoline precursors. Researchers emphasize its role as a building block in drug discovery, particularly for kinase inhibitors and antimicrobial agents. A 2023 study highlighted its potential in targeting drug-resistant pathogens, aligning with the global focus on antibiotic alternatives. Its lipophilicity and electron-withdrawing properties make it valuable for optimizing pharmacokinetic profiles in lead compounds.

In agrochemicals, 5-Bromo-3-fluoro-quinoline derivatives are explored for their herbicidal and fungicidal activities. With the rising demand for sustainable crop protection, this compound's mode of action—disrupting fungal cell membranes—resonates with trends in green chemistry. Industry reports link its derivatives to low-toxicity formulations, addressing searches like "eco-friendly quinoline-based pesticides."

The compound's spectroscopic data (e.g., 1H NMR: δ 8.9 ppm for quinoline-H) and crystallographic studies are well-documented, aiding in quality control. Analytical techniques such as HPLC-MS ensure purity for high-value applications. Suppliers often provide custom synthesis services, catering to niche demands like "1416440-63-5 for research."

Emerging trends include its integration into OLED materials, where its fluorescence properties are exploited for energy-efficient displays. Patent analyses reveal growing interest in electronic applications, coinciding with searches for "quinoline derivatives in optoelectronics."

Regulatory compliance for CAS 1416440-63-5 follows standard halogenated compound guidelines, with no restrictive classifications. Safety data sheets recommend handling under ventilated conditions, reflecting lab safety priorities. Storage stability (-20°C, inert atmosphere) is critical for long-term use.

In conclusion, 5-Bromo-3-fluoro-quinoline bridges multiple disciplines—from medicinal chemistry to material science. Its versatility and alignment with industry pain points (e.g., antimicrobial resistance, sustainable agriculture) ensure sustained relevance. Future research may unlock novel applications in catalysis or bioconjugation, further expanding its commercial footprint.

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