Cas no 1131632-64-8 (5,7-dibromo-3-iodo-1h-indazole)

5,7-Dibromo-3-iodo-1H-indazole is a halogenated indazole derivative with significant utility in synthetic organic chemistry and pharmaceutical research. Its distinct substitution pattern, featuring bromine and iodine atoms at the 5,7- and 3-positions, respectively, enhances its reactivity in cross-coupling reactions, such as Suzuki or Sonogashira couplings, facilitating the construction of complex heterocyclic frameworks. The presence of multiple halogens also makes it a versatile intermediate for further functionalization. This compound is particularly valuable in medicinal chemistry for the development of biologically active molecules, owing to its potential as a scaffold for kinase inhibitors or other therapeutic agents. High purity and stability under standard conditions further support its use in rigorous research applications.
5,7-dibromo-3-iodo-1h-indazole structure
1131632-64-8 structure
Product Name:5,7-dibromo-3-iodo-1h-indazole
CAS No:1131632-64-8
MF:C7H3Br2IN2
MW:401.824591875076
MDL:MFCD13177075
CID:1201344
PubChem ID:59818098
Update Time:2025-05-21

5,7-dibromo-3-iodo-1h-indazole Chemical and Physical Properties

Names and Identifiers

    • 5,7-dibromo-3-iodo-1h-indazole
    • 5,7-dibromo-3-iodo-2H-indazole
    • MFCD13177075
    • CS-0192612
    • E90821
    • 1131632-64-8
    • SCHEMBL14030589
    • DTXSID701306189
    • MDL: MFCD13177075
    • Inchi: 1S/C7H3Br2IN2/c8-3-1-4-6(5(9)2-3)11-12-7(4)10/h1-2H,(H,11,12)
    • InChI Key: ZIYLUJLIQSNNLD-UHFFFAOYSA-N
    • SMILES: IC1=C2C=C(C=C(C2=NN1)Br)Br

Computed Properties

  • Exact Mass: 401.76872g/mol
  • Monoisotopic Mass: 399.77077g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 181
  • 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: 3.6
  • Topological Polar Surface Area: 28.7?2

5,7-dibromo-3-iodo-1h-indazole Pricemore >>

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Additional information on 5,7-dibromo-3-iodo-1h-indazole

Comprehensive Overview of 5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8): Properties, Applications, and Research Insights

5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8) is a halogen-substituted indazole derivative that has garnered significant attention in pharmaceutical and materials science research. This compound belongs to the class of heterocyclic compounds, which are widely studied for their diverse biological activities and potential applications in drug discovery. The presence of multiple halogen atoms (bromine and iodine) in its structure makes it a valuable intermediate for further chemical modifications, particularly in the development of novel small-molecule inhibitors and fluorescence probes.

In recent years, the demand for halogenated indazoles like 5,7-dibromo-3-iodo-1H-indazole has increased due to their role in medicinal chemistry and organic synthesis. Researchers are particularly interested in its potential as a building block for kinase inhibitors, which are crucial in targeted cancer therapies. The compound's unique electronic properties, attributed to the heavy halogens, also make it a candidate for optoelectronic materials, aligning with the growing trend of organic electronics research.

The synthesis of 5,7-dibromo-3-iodo-1H-indazole typically involves multi-step halogenation reactions starting from 1H-indazole precursors. Its molecular weight (exact mass: 436.77 g/mol) and lipophilicity (LogP ~3.5) are critical parameters for drug design, as these properties influence bioavailability and membrane permeability. Recent studies highlight its utility in cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings, which are pivotal in creating complex bioconjugates for therapeutic applications.

From an analytical chemistry perspective, 5,7-dibromo-3-iodo-1H-indazole exhibits distinct spectral signatures. Its NMR spectra (1H and 13C) show characteristic peaks for aromatic protons and carbons, while mass spectrometry confirms the isotopic patterns of bromine and iodine. These features are essential for quality control in industrial-scale production. Furthermore, the compound's crystal structure has been investigated to understand intermolecular interactions, which are relevant for cocrystal engineering—a hot topic in pharmaceutical formulation.

Beyond pharmaceuticals, 5,7-dibromo-3-iodo-1H-indazole is explored in material science for its potential in organic light-emitting diodes (OLEDs) and photovoltaic devices. The heavy-atom effect from iodine enhances spin-orbit coupling, making it a candidate for thermally activated delayed fluorescence (TADF) materials. This aligns with the global push toward sustainable energy solutions, where researchers seek efficient organic semiconductors.

In summary, 5,7-dibromo-3-iodo-1H-indazole (CAS No. 1131632-64-8) is a versatile compound with broad applications in drug discovery, catalysis, and advanced materials. Its unique structural features and reactivity profile position it as a key player in interdisciplinary research, addressing contemporary challenges in healthcare and green technology.

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