Cas no 885520-88-7 (6-Chloro-4-fluoro-1H-indole)

6-Chloro-4-fluoro-1H-indole is a halogenated indole derivative with significant utility in pharmaceutical and agrochemical research. Its structure, featuring both chloro and fluoro substituents, enhances its reactivity and makes it a valuable intermediate in the synthesis of biologically active compounds. The electron-withdrawing properties of the halogens improve its suitability for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the development of novel heterocyclic frameworks. This compound’s stability under standard conditions and high purity make it a reliable building block for medicinal chemistry applications, particularly in the design of kinase inhibitors and antimicrobial agents. Its versatility underscores its importance in advanced synthetic workflows.
6-Chloro-4-fluoro-1H-indole structure
6-Chloro-4-fluoro-1H-indole structure
Product Name:6-Chloro-4-fluoro-1H-indole
CAS No:885520-88-7
MF:C8H5ClFN
MW:169.583404302597
MDL:MFCD07781560
CID:840695
PubChem ID:24728180
Update Time:2025-09-28

6-Chloro-4-fluoro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-4-fluoro-1H-indole
    • 6-Chloro-4-fluoro indole
    • 4-Fluoro-6-chloroindole
    • 6-Chloro-4-fluoro-1H-indole (ACI)
    • DTXSID20646242
    • 1H-Indole, 6-chloro-4-fluoro-
    • AKOS006284681
    • CS-0050224
    • SY099490
    • DB-077959
    • 885520-88-7
    • P15432
    • 6-Chloro-4-fluoroindole
    • DS-7149
    • SCHEMBL1020747
    • SB15275
    • MFCD07781560
    • MDL: MFCD07781560
    • Inchi: 1S/C8H5ClFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
    • InChI Key: AXUAWQLKXCWJDV-UHFFFAOYSA-N
    • SMILES: FC1C2=C(NC=C2)C=C(Cl)C=1

Computed Properties

  • Exact Mass: 169.0094550g/mol
  • Monoisotopic Mass: 169.0094550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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: 2.8
  • Topological Polar Surface Area: 15.8?2

Experimental Properties

  • Density: 1.436±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 289.5±20.0 oC (760 Torr),
  • Flash Point: 128.9±21.8 oC,
  • Solubility: Slightly soluble (0.10 g/l) (25 o C),

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6-Chloro-4-fluoro-1H-indole Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:885520-88-7)1H-Indole, 6-chloro-4-fluoro-
Order Number:sfd5128
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

Additional information on 6-Chloro-4-fluoro-1H-indole

Comprehensive Overview of 6-Chloro-4-fluoro-1H-indole (CAS No. 885520-88-7): Properties, Applications, and Industry Insights

6-Chloro-4-fluoro-1H-indole (CAS No. 885520-88-7) is a halogenated indole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This compound belongs to the class of heterocyclic aromatic compounds, which are widely explored for their bioactivity and versatility in synthetic chemistry. The presence of both chloro and fluoro substituents on the indole scaffold enhances its reactivity, making it a valuable intermediate in the synthesis of complex molecules.

In recent years, the demand for halogenated indoles like 6-Chloro-4-fluoro-1H-indole has surged, driven by their applications in drug discovery and material science. Researchers are particularly interested in its potential as a building block for kinase inhibitors and GPCR-targeted therapeutics, aligning with the growing focus on precision medicine. The compound's CAS number (885520-88-7) is frequently searched in chemical databases, reflecting its relevance in high-value R&D projects.

From a synthetic perspective, 6-Chloro-4-fluoro-1H-indole offers distinct advantages. Its electron-withdrawing substituents facilitate regioselective functionalization, a feature exploited in the development of small-molecule libraries for high-throughput screening. Industry trends show increased interest in fluorinated pharmaceuticals, with ~30% of FDA-approved drugs containing fluorine—a statistic that underscores the importance of this compound in modern medicinal chemistry.

The physicochemical properties of CAS 885520-88-7 contribute to its utility. With a molecular weight of 169.57 g/mol and moderate lipophilicity (predicted LogP ~2.4), it exhibits favorable drug-like properties for lead optimization. Analytical studies using HPLC and LC-MS confirm its stability under standard laboratory conditions, making it suitable for extended synthetic workflows. These characteristics address common queries from researchers about compound stability and purification methods—frequent topics in organic chemistry forums.

Emerging applications of 6-Chloro-4-fluoro-1H-indole extend beyond pharmaceuticals. Material scientists are investigating its incorporation into organic semiconductors and photovoltaic materials, capitalizing on the indole core's electron-transport properties. This dual applicability in life sciences and advanced materials responds to the market's demand for multifunctional chemical building blocks—a trending search term in chemical patent analyses.

Quality control protocols for 885520-88-7 typically involve NMR spectroscopy (1H, 13C, and 19F) and elemental analysis to verify purity >98%. Such rigorous characterization meets the stringent requirements of GMP-compliant synthesis, a critical consideration for pharmaceutical manufacturers. Recent publications in journals like Journal of Medicinal Chemistry highlight improved synthetic routes that enhance yield while reducing heavy metal catalysts—addressing environmental concerns in chemical production.

Market intelligence indicates growing procurement of 6-Chloro-4-fluoro-1H-indole by contract research organizations (CROs) and academic institutions. Its structure-activity relationship (SAR) studies frequently appear in research on neurodegenerative disease targets and anticancer agents—topics dominating biomedical literature searches. The compound's scalable synthesis also makes it attractive for industrial applications, with several manufacturers offering kilogram-scale quantities.

From an SEO perspective, content related to CAS 885520-88-7 performs well when addressing specific researcher queries like "fluorinated indole synthesis" or "chloro-fluoro indole applications." Technical discussions about its crystallographic data (space group P21/c) and hydrogen bonding patterns also generate engagement in scholarly circles. These long-tail keywords reflect the compound's niche yet vital role in advanced chemical research.

In conclusion, 6-Chloro-4-fluoro-1H-indole (CAS No. 885520-88-7) represents a strategically important compound at the intersection of medicinal chemistry and materials science. Its balanced lipophilicity profile, synthetic versatility, and emerging applications position it as a compound of continuing interest across multiple scientific disciplines. Ongoing research will likely uncover new dimensions of its utility, particularly in the development of next-generation therapeutics and functional materials.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:885520-88-7)1H-Indole, 6-chloro-4-fluoro-
sfd5128
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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