Cas no 885520-01-4 (4-Fluoro-6-nitro-1H-indazole)

4-Fluoro-6-nitro-1H-indazole is a fluorinated nitroindazole derivative with significant utility in pharmaceutical and agrochemical research. Its unique structure, featuring both fluorine and nitro functional groups, enhances reactivity and binding affinity, making it a valuable intermediate in the synthesis of bioactive compounds. The fluorine substitution improves metabolic stability and lipophilicity, while the nitro group offers versatility for further chemical modifications. This compound is particularly useful in the development of kinase inhibitors and other therapeutic agents targeting oxidative stress pathways. Its high purity and well-characterized properties ensure reproducibility in research applications. Suitable for controlled laboratory use, it requires handling under standard safety protocols due to its reactive nature.
4-Fluoro-6-nitro-1H-indazole structure
4-Fluoro-6-nitro-1H-indazole structure
Product Name:4-Fluoro-6-nitro-1H-indazole
CAS No:885520-01-4
MF:C7H4FN3O2
MW:181.123964309692
MDL:MFCD07781399
CID:840446
PubChem ID:24728149
Update Time:2025-10-19

4-Fluoro-6-nitro-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoro-6-nitro-1H-indazole
    • 4-FLUORO-6-NITROINDAZOLE
    • AMY33849
    • P10506
    • PB18819
    • A861800
    • DTXSID10646211
    • CS-0050852
    • 885520-01-4
    • AKOS006285424
    • 1h-indazole,4-fluoro-6-nitro-
    • MFCD07781399
    • AS-50531
    • DB-184862
    • DTXCID90596962
    • MDL: MFCD07781399
    • Inchi: 1S/C7H4FN3O2/c8-6-1-4(11(12)13)2-7-5(6)3-9-10-7/h1-3H,(H,9,10)
    • InChI Key: ODZQPOTVNLDEJS-UHFFFAOYSA-N
    • SMILES: FC1=CC(=CC2=C1C=NN2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 181.02875454g/mol
  • Monoisotopic Mass: 181.02875454g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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: 1.5
  • Topological Polar Surface Area: 74.5?2

Experimental Properties

  • Density: 1.629±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),

4-Fluoro-6-nitro-1H-indazole Pricemore >>

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Additional information on 4-Fluoro-6-nitro-1H-indazole

Comprehensive Overview of 4-Fluoro-6-nitro-1H-indazole (CAS No. 885520-01-4): Properties, Applications, and Research Insights

4-Fluoro-6-nitro-1H-indazole (CAS No. 885520-01-4) is a fluorinated nitro-indazole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This heterocyclic compound belongs to the indazole family, characterized by a fused benzene and pyrazole ring system. The presence of both fluoro and nitro substituents at the 4- and 6-positions, respectively, enhances its reactivity and potential as a building block for advanced molecular designs.

In recent years, the demand for fluorinated compounds like 4-Fluoro-6-nitro-1H-indazole has surged, driven by their applications in drug discovery and material science. Researchers frequently search for terms such as "indazole derivatives synthesis", "fluoro-nitro indazole applications", and "CAS 885520-01-4 supplier", reflecting the compound's relevance in modern chemistry. Its structural versatility allows for modifications that can lead to novel bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents.

The physicochemical properties of 4-Fluoro-6-nitro-1H-indazole include a molecular weight of 195.13 g/mol and a melting point range of 180–185°C, making it suitable for high-temperature reactions. Its solubility profile—moderate in polar organic solvents like DMSO and methanol but low in water—aligns with its use in organic synthesis. Analytical techniques such as HPLC, NMR, and mass spectrometry are commonly employed to characterize this compound, ensuring purity and consistency for research purposes.

One of the trending topics in the scientific community is the exploration of sustainable synthesis methods for heterocyclic compounds. 4-Fluoro-6-nitro-1H-indazole has been studied in the context of green chemistry, with researchers investigating catalyst-free reactions and solvent-free conditions to minimize environmental impact. This aligns with the growing interest in "eco-friendly chemical synthesis" and "green pharmaceuticals", which are frequently searched keywords in academic and industrial databases.

Beyond pharmaceuticals, 4-Fluoro-6-nitro-1H-indazole has potential applications in materials science, particularly in the development of organic electronic materials. Its electron-withdrawing nitro group and aromatic system make it a candidate for designing charge-transfer complexes and luminescent materials. Searches for "indazole-based OLED materials" and "nitro-heterocycles in electronics" highlight this emerging interest.

Quality control and regulatory compliance are critical for laboratories handling CAS No. 885520-01-4. Reputable suppliers provide certificates of analysis (CoA) detailing purity (often ≥98%), residual solvents, and heavy metal content. Researchers are advised to verify these parameters, especially when the compound is used in sensitive applications like bioconjugation or high-throughput screening.

In summary, 4-Fluoro-6-nitro-1H-indazole represents a versatile scaffold with broad interdisciplinary relevance. Its integration into drug discovery pipelines and material innovation continues to inspire scientific inquiry, as evidenced by the increasing volume of peer-reviewed publications and patent filings referencing this compound. Future research may focus on optimizing its synthetic routes and expanding its utility in cutting-edge technologies.

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