Cas no 1369199-73-4 (4-bromo-1-chloro-7-fluoroisoquinoline)

4-Bromo-1-chloro-7-fluoroisoquinoline is a halogenated isoquinoline derivative with significant utility in pharmaceutical and agrochemical research. Its distinct substitution pattern—bromo, chloro, and fluoro groups at the 4, 1, and 7 positions, respectively—enhances its reactivity and versatility as a synthetic intermediate. The compound's electron-withdrawing substituents facilitate nucleophilic aromatic substitution and metal-catalyzed cross-coupling reactions, making it valuable for constructing complex heterocyclic frameworks. Its high purity and stability under standard conditions ensure reliable performance in multistep syntheses. Researchers favor this compound for its potential in developing bioactive molecules, particularly in medicinal chemistry for targeted drug discovery. Proper handling and storage are recommended due to its halogenated nature.
4-bromo-1-chloro-7-fluoroisoquinoline structure
1369199-73-4 structure
Product Name:4-bromo-1-chloro-7-fluoroisoquinoline
CAS No:1369199-73-4
MF:C9H4BrClFN
MW:260.490163803101
MDL:MFCD11870524
CID:4594178
PubChem ID:82572241
Update Time:2025-11-02

4-bromo-1-chloro-7-fluoroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-1-chloro-7-fluoroisoquinoline
    • MDL: MFCD11870524
    • Inchi: 1S/C9H4BrClFN/c10-8-4-13-9(11)7-3-5(12)1-2-6(7)8/h1-4H
    • InChI Key: QMJDYOOSBFYAQD-UHFFFAOYSA-N
    • SMILES: C1(Cl)C2=C(C=CC(F)=C2)C(Br)=CN=1

4-bromo-1-chloro-7-fluoroisoquinoline Pricemore >>

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Additional information on 4-bromo-1-chloro-7-fluoroisoquinoline

Comprehensive Overview of 4-bromo-1-chloro-7-fluoroisoquinoline (CAS No. 1369199-73-4)

4-bromo-1-chloro-7-fluoroisoquinoline (CAS No. 1369199-73-4) is a halogen-substituted isoquinoline derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic compounds, which are pivotal in drug discovery due to their structural diversity and biological relevance. The presence of bromo, chloro, and fluoro substituents enhances its reactivity, making it a valuable intermediate in synthetic chemistry.

In recent years, the demand for fluorinated compounds like 4-bromo-1-chloro-7-fluoroisoquinoline has surged, driven by their applications in medicinal chemistry and material science. Researchers are particularly interested in its potential as a building block for kinase inhibitors and anticancer agents, aligning with the growing focus on targeted therapies. The compound's unique electronic properties, attributed to the halogen atoms, also make it a candidate for organic electronics and catalysis.

The synthesis of 4-bromo-1-chloro-7-fluoroisoquinoline typically involves multi-step reactions, including halogenation and cyclization processes. Its CAS number 1369199-73-4 serves as a unique identifier in chemical databases, facilitating regulatory compliance and literature searches. Analytical techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its purity and structural integrity, ensuring its suitability for high-value applications.

From an industrial perspective, 4-bromo-1-chloro-7-fluoroisoquinoline is often discussed in the context of green chemistry and sustainable synthesis. Companies are increasingly adopting eco-friendly protocols to minimize waste and energy consumption during its production. This aligns with global trends emphasizing environmental responsibility and circular economy principles, which are frequently searched topics in scientific and regulatory forums.

Another area of interest is the compound's role in high-throughput screening (HTS) for drug discovery. Its structural motifs are compatible with combinatorial chemistry, enabling rapid exploration of chemical space. Given the rising popularity of AI-driven drug design, 4-bromo-1-chloro-7-fluoroisoquinoline is often referenced in discussions about machine learning and cheminformatics tools that predict molecular properties.

In summary, 4-bromo-1-chloro-7-fluoroisoquinoline (CAS No. 1369199-73-4) is a versatile compound with broad applications in pharmaceuticals, agrochemicals, and advanced materials. Its relevance to cutting-edge research areas like targeted therapy and sustainable chemistry ensures its continued prominence in scientific literature and industrial workflows.

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