Cas no 169674-02-6 (4-chloro-5-fluoro-1H-Indole)

4-Chloro-5-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 selectivity, making it a valuable intermediate in the synthesis of bioactive compounds. The electron-withdrawing effects of the substituents influence its electronic properties, facilitating applications in cross-coupling reactions and heterocyclic chemistry. This compound is particularly useful in the development of drug candidates targeting CNS disorders and antimicrobial agents. High purity grades are available to ensure consistent performance in synthetic workflows. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.
4-chloro-5-fluoro-1H-Indole structure
4-chloro-5-fluoro-1H-Indole structure
Product Name:4-chloro-5-fluoro-1H-Indole
CAS No:169674-02-6
MF:C8H5ClFN
MW:169.583404302597
MDL:MFCD12924664
CID:65836
PubChem ID:11607987
Update Time:2025-10-29

4-chloro-5-fluoro-1H-Indole Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-5-fluoro-1H-Indole
    • 1H-Indole,4-chloro-5-fluoro
    • 4-Chloro-5-fluoroindole
    • BH153
    • 1H-Indole, 4-chloro-5-fluoro-
    • 169674-02-6
    • DTXSID90469344
    • MB12195
    • MFCD12924664
    • CS-0311476
    • F30325
    • FT-0687477
    • SY033207
    • AKOS022176147
    • A3745
    • TUYZSKJQXNCPLN-UHFFFAOYSA-N
    • SCHEMBL8959626
    • DS-12485
    • DB-064744
    • MDL: MFCD12924664
    • Inchi: 1S/C8H5ClFN/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,11H
    • InChI Key: TUYZSKJQXNCPLN-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC2=C1C=CN2)F

Computed Properties

  • Exact Mass: 169.00900
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 15.8?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.436
  • Melting Point: No data available
  • Boiling Point: 300 oC
  • Flash Point: 135 oC
  • Refractive Index: 1.657
  • PSA: 15.79000
  • LogP: 2.96040

4-chloro-5-fluoro-1H-Indole Pricemore >>

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Additional information on 4-chloro-5-fluoro-1H-Indole

4-Chloro-5-Fluoro-1H-Indole: A Comprehensive Overview

4-Chloro-5-fluoro-1H-indole, with the CAS number 169674-02-6, is a heterocyclic aromatic compound that has garnered significant attention in various fields of chemistry and materials science. This compound is characterized by its indole core, a bicyclic structure consisting of a six-membered benzene ring fused to a five-membered pyrrole ring. The presence of chlorine and fluorine substituents at the 4th and 5th positions, respectively, imparts unique electronic and steric properties to the molecule, making it a valuable building block in organic synthesis.

The synthesis of 4-chloro-5-fluoro-1H-indole typically involves multi-step processes, often utilizing directed metallation or substitution strategies. Recent advancements in catalytic methods have enabled more efficient and selective routes to this compound, reducing production costs and enhancing its accessibility for research and industrial applications. Its structure has been exploited in the development of novel materials, including organic semiconductors and optoelectronic devices.

One of the most promising applications of 4-chloro-5-fluoro-1H-indole lies in the field of drug discovery. Researchers have demonstrated that this compound exhibits potential as a lead molecule for anti-cancer therapies due to its ability to modulate key cellular pathways. For instance, studies have shown that it can inhibit specific kinase enzymes involved in tumor growth and metastasis. These findings highlight its role as a valuable scaffold for medicinal chemistry.

In addition to its pharmacological applications, 4-chloro-5-fluoro-1H-indole has found utility in materials science. Its electronic properties make it suitable for use in organic light-emitting diodes (OLEDs) and other optoelectronic devices. Recent research has focused on incorporating this compound into conjugated polymers, where it enhances charge transport properties and improves device efficiency. Such applications underscore its versatility as a functional material.

The chemical stability of 4-chloro-5-fluoro-1H-indole under various conditions has also been extensively studied. Its resistance to oxidative degradation makes it an ideal candidate for use in harsh chemical environments. Furthermore, its solubility properties have been optimized through structural modifications, enabling its use in diverse solvent systems.

In conclusion, 4-chloro-5-fluoro-1H-indole (CAS No: 169674-02-6) is a versatile compound with a wide range of applications across multiple disciplines. From drug discovery to materials science, its unique chemical properties continue to drive innovative research and development efforts. As new methodologies emerge for its synthesis and application, this compound is poised to play an increasingly important role in advancing modern science and technology.

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