Cas no 1368512-30-4 (1-bromo-8-fluoro-isoquinoline)

1-Bromo-8-fluoro-isoquinoline is a halogenated isoquinoline derivative with a bromine substituent at the 1-position and a fluorine atom at the 8-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The presence of both bromine and fluorine enhances its reactivity, enabling selective cross-coupling reactions, nucleophilic substitutions, and other transformations. Its rigid isoquinoline scaffold provides a stable framework for constructing complex heterocyclic systems. The compound’s well-defined structure and high purity make it suitable for precision applications in medicinal chemistry and material science. Proper handling and storage are recommended due to its sensitivity to light and moisture.
1-bromo-8-fluoro-isoquinoline structure
1-bromo-8-fluoro-isoquinoline structure
Product Name:1-bromo-8-fluoro-isoquinoline
CAS No:1368512-30-4
MF:C9H5BrFN
MW:226.04510474205
MDL:MFCD21876129
CID:2156117
PubChem ID:75355846
Update Time:2025-05-21

1-bromo-8-fluoro-isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-8-fluoroisoquinoline
    • Isoquinoline, 1-bromo-8-fluoro-
    • FCH1566973
    • AK174525
    • 1-bromo-8-fluoro-isoquinoline
    • DB-250366
    • MFCD21876129
    • CS-0445353
    • AKOS016367959
    • EN300-398076
    • AS-39988
    • 1368512-30-4
    • SCHEMBL21643611
    • MDL: MFCD21876129
    • Inchi: 1S/C9H5BrFN/c10-9-8-6(4-5-12-9)2-1-3-7(8)11/h1-5H
    • InChI Key: DAPFAORJGTUTKH-UHFFFAOYSA-N
    • SMILES: BrC1C2C(=CC=CC=2C=CN=1)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: 2
  • 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
  • Topological Polar Surface Area: 12.9
  • XLogP3: 3.2

1-bromo-8-fluoro-isoquinoline Pricemore >>

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Additional information on 1-bromo-8-fluoro-isoquinoline

1-Bromo-8-Fluoro-Isoquinoline (CAS No. 1368512-30-4)

1-Bromo-8-fluoro-isoquinoline is a heterocyclic aromatic compound belonging to the isoquinoline family. It is characterized by its unique chemical structure, which includes a bromine atom at position 1 and a fluorine atom at position 8 of the isoquinoline backbone. This compound has garnered significant attention in recent years due to its potential applications in various fields, including pharmacology, materials science, and organic synthesis.

The isoquinoline skeleton itself is a well-known framework in organic chemistry, with a wide range of biological activities and synthetic utilities. The introduction of halogen substituents, such as bromine and fluorine, further enhances the compound's reactivity and functional diversity. 1-Bromo-8-fluoro-isoquinoline has been extensively studied for its role as an intermediate in the synthesis of bioactive molecules, particularly in drug discovery programs targeting various diseases.

Recent research has highlighted the potential of 1-bromo-8-fluoro-isoquinoline as a precursor for the development of anti-cancer agents. Studies have shown that derivatives of this compound exhibit promising anti-proliferative activity against several cancer cell lines. The bromine substituent at position 1 plays a critical role in modulating the compound's pharmacokinetic properties, while the fluorine atom at position 8 contributes to its stability and bioavailability.

In addition to its pharmaceutical applications, 1-bromo-8-fluoro-isoquinoline has also been explored for its use in the synthesis of advanced materials. Its aromaticity and electron-withdrawing groups make it an ideal candidate for applications in organic electronics, such as in the development of new semiconducting materials. Researchers have reported that derivatives of this compound exhibit excellent charge transport properties, making them suitable for use in organic field-effect transistors (OFETs) and other electronic devices.

The synthesis of 1-bromo-8-fluoro-isoquinoline involves a multi-step process that typically begins with the preparation of isoquinoline derivatives followed by halogenation at specific positions. Recent advancements in catalytic methods have enabled more efficient and selective synthesis routes, reducing production costs and improving yield rates. These developments have made 1-bromo-8-fluoro-isoquinoline more accessible for both academic and industrial research.

From an environmental perspective, 1-bromo-8-fluoro-isoquinoline has been evaluated for its biodegradability and eco-toxicological effects. Studies indicate that under controlled conditions, the compound exhibits moderate biodegradability, with degradation rates influenced by factors such as pH levels and microbial activity. However, further research is required to fully understand its long-term environmental impact and to develop strategies for minimizing ecological risks associated with its use.

In conclusion, 1-bromo-8-fluoro-isoquinoline (CAS No. 1368512-30) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthetic methodologies and biological evaluations, positions it as a valuable tool in modern chemical research. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is expected to play an increasingly important role in both academic and industrial settings.

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