Cas no 1246552-90-8 (3-bromo-7-chloroisoquinoline)

3-bromo-7-chloroisoquinoline structure
3-bromo-7-chloroisoquinoline structure
Product Name:3-bromo-7-chloroisoquinoline
CAS No:1246552-90-8
MF:C9H5BrClN
MW:242.499700307846
CID:1216119
PubChem ID:57415769
Update Time:2025-10-29

3-bromo-7-chloroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-7-chloroisoquinoline
    • MFCD18250414
    • DTXSID90725497
    • 1246552-90-8
    • D74439
    • WZB55290
    • DB-084831
    • CS-0082163
    • SCHEMBL14330642
    • SY065708
    • AB72948
    • 3-bromo-7-chloroisoquinoline
    • MDL: 'MFCD18250414
    • Inchi: 1S/C9H5BrClN/c10-9-4-6-1-2-8(11)3-7(6)5-12-9/h1-5H
    • InChI Key: ZLAFRLYZTMTUOQ-UHFFFAOYSA-N
    • SMILES: BrC1=CC2C=CC(=CC=2C=N1)Cl

Computed Properties

  • Exact Mass: 240.92939g/mol
  • Monoisotopic Mass: 240.92939g/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: 3.8
  • Topological Polar Surface Area: 12.9?2

3-bromo-7-chloroisoquinoline Pricemore >>

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Additional information on 3-bromo-7-chloroisoquinoline

3-Bromo-7-chloroisoquinoline (CAS No. 1246552-90-8): A Versatile Heterocyclic Compound for Pharmaceutical and Material Science Applications

3-Bromo-7-chloroisoquinoline (CAS No. 1246552-90-8) is a highly valuable heterocyclic compound that has gained significant attention in recent years due to its unique chemical properties and wide-ranging applications. As a halogenated isoquinoline derivative, this compound serves as a crucial building block in pharmaceutical research, material science, and organic synthesis. The presence of both bromine and chlorine substituents on the isoquinoline ring makes it particularly reactive for various cross-coupling reactions and catalytic transformations.

The growing interest in 3-bromo-7-chloroisoquinoline synthesis reflects the broader trend in medicinal chemistry towards developing novel drug-like scaffolds. Researchers are particularly interested in how the bromine and chlorine functional groups influence the compound's biological activity and binding affinity to various protein targets. Recent studies have shown that derivatives of halogenated isoquinolines exhibit promising results in targeting kinase enzymes, which are crucial in cancer research and neurodegenerative disease treatment.

From a material science perspective, 3-bromo-7-chloroisoquinoline serves as an excellent precursor for developing organic electronic materials. The compound's aromatic structure and electron-withdrawing halogen groups make it suitable for creating charge transport materials used in OLED displays and organic photovoltaics. This aligns perfectly with current industry demands for more efficient and sustainable electronic materials.

The synthetic route for 3-bromo-7-chloroisoquinoline typically involves multi-step procedures starting from commercially available isoquinoline precursors. Modern green chemistry approaches are being developed to optimize the synthesis, reducing environmental impact while maintaining high yields. These advancements address the pharmaceutical industry's growing need for sustainable synthetic methods and atom-efficient reactions.

In medicinal chemistry applications, 3-bromo-7-chloroisoquinoline has shown particular promise as a privileged scaffold for drug discovery. The compound's molecular structure allows for diverse modifications, enabling researchers to fine-tune pharmacokinetic properties and target selectivity. Recent publications highlight its use in developing potential therapies for central nervous system disorders and inflammatory conditions.

The global market for halogenated isoquinolines like 3-bromo-7-chloroisoquinoline is experiencing steady growth, driven by increasing R&D investments in small molecule therapeutics and advanced materials. Pharmaceutical companies are particularly interested in this compound's potential as a key intermediate for developing next-generation kinase inhibitors. Meanwhile, material science researchers value its applications in creating high-performance organic semiconductors.

Quality control of 3-bromo-7-chloroisoquinoline typically involves advanced analytical techniques such as HPLC purity analysis, mass spectrometry, and NMR spectroscopy. These methods ensure the compound meets the stringent requirements for pharmaceutical-grade intermediates and research chemicals. The development of robust analytical methods for this compound has become increasingly important as its applications expand into regulated industries.

Looking ahead, researchers are exploring novel catalytic systems for more efficient functionalization of 3-bromo-7-chloroisoquinoline. The integration of machine learning in chemical synthesis is helping to predict optimal reaction conditions and identify new structure-activity relationships for isoquinoline derivatives. These cutting-edge approaches are accelerating the discovery of new applications for this versatile compound.

For laboratories working with 3-bromo-7-chloroisoquinoline, proper storage conditions and handling procedures are essential to maintain stability and purity. The compound should be stored in airtight containers under inert atmosphere when long-term storage is required. These precautions help preserve the compound's reactivity for subsequent chemical transformations and biological evaluations.

The environmental fate and degradation pathways of halogenated isoquinolines like 3-bromo-7-chloroisoquinoline are becoming an important research area. Scientists are developing biodegradation strategies and green disposal methods to address potential environmental concerns. This research aligns with the chemical industry's commitment to sustainable practices and responsible chemical management.

In conclusion, 3-bromo-7-chloroisoquinoline (CAS No. 1246552-90-8) represents a fascinating example of how halogenated heterocycles continue to drive innovation across multiple scientific disciplines. Its unique combination of chemical reactivity, structural versatility, and biological relevance ensures it will remain an important compound for researchers in both pharmaceutical development and advanced materials science for years to come.

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