Cas no 945761-95-5 (3-Bromo-7-iodo-1H-indazole)

3-Bromo-7-iodo-1H-indazole is a halogenated indazole derivative widely utilized as a versatile intermediate in pharmaceutical and agrochemical research. Its distinct bromo and iodo substituents at the 3- and 7-positions enhance reactivity, enabling selective cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination. The compound’s robust heterocyclic framework and halogen handles make it valuable for constructing complex molecules, particularly in medicinal chemistry for kinase inhibitor development. High purity and stability under standard conditions ensure reliable performance in synthetic applications. Its structural features also facilitate further functionalization, offering flexibility in designing novel bioactive compounds. Suitable for controlled environments, it requires handling with appropriate safety precautions due to its halogenated nature.
3-Bromo-7-iodo-1H-indazole structure
3-Bromo-7-iodo-1H-indazole structure
Product Name:3-Bromo-7-iodo-1H-indazole
CAS No:945761-95-5
MF:C7H4BrIN2
MW:322.928532600403
CID:796750
PubChem ID:16726526
Update Time:2025-10-29

3-Bromo-7-iodo-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-7-iodo-1H-indazole
    • 1H-Indazole, 3- bromo-7-iodo-
    • 3-bromo-7-nitro-1H-indazole
    • 3-bromo-7-hydroxymethyl-9-fluorenone
    • 9H-Fluoren-9-one,6-bromo-2-(hydroxymethyl)
    • J-512083
    • CHEMBL456579
    • G11603
    • FT-0646754
    • 3-bromo-7-iodo-2H-indazole
    • 3-bromo-7-iodoindazole
    • 1H-Indazole,3-bromo-7-iodo-
    • BDBM50270529
    • 945761-95-5
    • Inchi: 1S/C7H4BrIN2/c8-7-4-2-1-3-5(9)6(4)10-11-7/h1-3H,(H,10,11)
    • InChI Key: CSVJSYJEYYTJPV-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC2=C(NN=C21)Br

Computed Properties

  • Exact Mass: 321.86000
  • Monoisotopic Mass: 321.86
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 28.7A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 2.421±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 242.9 °C at 760 mmHg
  • Flash Point: 100.7 °C
  • Refractive Index: 1.804
  • Solubility: Very slightly soluble (0.14 g/l) (25 o C),
  • PSA: 28.68000
  • LogP: 2.93000

3-Bromo-7-iodo-1H-indazole Pricemore >>

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Additional information on 3-Bromo-7-iodo-1H-indazole

Comprehensive Overview of 3-Bromo-7-iodo-1H-indazole (CAS No. 945761-95-5): Properties, Applications, and Research Insights

3-Bromo-7-iodo-1H-indazole (CAS No. 945761-95-5) is a halogen-substituted indazole derivative that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its bromo and iodo functional groups, serves as a versatile intermediate in organic synthesis and drug discovery. Its molecular structure, combining a heterocyclic indazole core with halogen atoms, makes it a valuable building block for designing novel bioactive molecules. Researchers often explore its potential in kinase inhibition, cancer therapeutics, and PET imaging probes, aligning with current trends in precision medicine and targeted therapy.

The growing demand for halogenated indazoles like 3-Bromo-7-iodo-1H-indazole reflects broader industry shifts toward highly functionalized heterocycles. These compounds are pivotal in addressing challenges such as drug resistance and selective binding affinity—topics frequently searched in academic and industrial databases. With its CAS No. 945761-95-5, this compound is cataloged in major chemical inventories, facilitating traceability for regulatory compliance and supply chain transparency. Its stability under controlled conditions and compatibility with cross-coupling reactions (e.g., Suzuki-Miyaura or Buchwald-Hartwig) further enhance its utility in modern synthetic workflows.

Recent studies highlight the role of 3-Bromo-7-iodo-1H-indazole in developing small-molecule inhibitors for neurodegenerative diseases, a hotspot in 2024 biomedical research. Searches for "indazole derivatives in Alzheimer’s" or "iodo-substituted kinase modulators" underscore its relevance. The compound’s dual halogenation offers unique reactivity patterns, enabling selective modifications at either the bromo or iodo position—a feature exploited in parallel synthesis and combinatorial chemistry. Analytical techniques like HPLC-MS and NMR are routinely employed to validate its purity, a critical factor given its applications in high-throughput screening.

From an industrial perspective, 945761-95-5 is often procured for custom synthesis and contract research organizations (CROs). Its inclusion in fragment-based drug design (FBDD) libraries aligns with the rise of AI-driven molecular docking, another trending topic. Environmental and safety profiles of halogenated compounds are also under scrutiny, prompting innovations in green chemistry alternatives—a nuance worth noting for sustainable R&D. As patent filings citing 3-Bromo-7-iodo-1H-indazole increase, its commercial and academic value continues to rise, particularly in oncology and central nervous system (CNS) drug pipelines.

In summary, 3-Bromo-7-iodo-1H-indazole (CAS No. 945761-95-5) exemplifies the intersection of structural diversity and functional adaptability in medicinal chemistry. Its applications span from radiopharmaceuticals to agrochemicals, resonating with global efforts to tackle complex diseases and optimize chemical processes. For researchers querying "buy 3-Bromo-7-iodo-indazole" or "indazole synthesis protocols," this compound remains a cornerstone of innovation, backed by rigorous scientific validation and evolving market demand.

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