Cas no 122509-73-3 (4,5-dichloro-1H-indole)

4,5-dichloro-1H-indole structure
4,5-dichloro-1H-indole structure
Product Name:4,5-dichloro-1H-indole
CAS No:122509-73-3
MF:C8H5Cl2N
MW:186.037999868393
MDL:MFCD16610777
CID:1081086
Update Time:2025-10-29

4,5-dichloro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 4,5-dichloro-1H-indole
    • 1H-INDOLE, 4,5-DICHLORO-
    • 1H-Indole,4,5-dichloro
    • 4,5-Dichloroindole
    • QC-9707
    • 1h-indole,4,5-dichloro-
    • MUWQPYPTCAUUGM-UHFFFAOYSA-N
    • 6033AJ
    • SB15184
    • SY033210
    • AK187276
    • AB0097896
    • MDL: MFCD16610777
    • Inchi: 1S/C8H5Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H
    • InChI Key: MUWQPYPTCAUUGM-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC2=C1C=CN2)Cl

Computed Properties

  • Exact Mass: 184.98000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 151
  • Topological Polar Surface Area: 15.8

Experimental Properties

  • Density: 1.479±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 331.3±22.0°C at 760 mmHg
  • Solubility: Almost insoluble (0.089 g/l) (25 o C),
  • PSA: 15.79000
  • LogP: 3.47470

4,5-dichloro-1H-indole Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Storage Condition:Sealed in dry,2-8°C

4,5-dichloro-1H-indole Pricemore >>

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4,5-dichloro-1H-indole Production Method

4,5-dichloro-1H-indole Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:122509-73-3)4,5-Dichloroindole
Order Number:sfd792
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

Additional information on 4,5-dichloro-1H-indole

4,5-Dichloro-1H-Indole: Properties, Applications, and Market Insights

4,5-Dichloro-1H-indole (CAS No. 122509-73-3) is a halogenated indole derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its dichloro-substituted indole structure, serves as a versatile intermediate in organic synthesis. Its unique chemical properties make it valuable for developing bioactive molecules, particularly in drug discovery and crop protection.

The molecular formula of 4,5-dichloro-1H-indole is C8H5Cl2N, with a molecular weight of 186.04 g/mol. The presence of chlorine atoms at the 4 and 5 positions of the indole ring enhances its reactivity, enabling diverse chemical transformations. Researchers often explore its potential in synthesizing heterocyclic compounds, which are crucial in medicinal chemistry. Recent studies highlight its role in creating novel antimicrobial agents and anti-inflammatory compounds, addressing global health challenges.

In the pharmaceutical industry, 4,5-dichloro-1H-indole is a key building block for developing small-molecule drugs. Its structural motif is found in several drug candidates targeting central nervous system (CNS) disorders and metabolic diseases. For instance, derivatives of this compound have shown promise in modulating G-protein-coupled receptors (GPCRs), a hot topic in drug development. The compound's ability to interact with biological targets makes it a focal point for high-throughput screening programs.

Beyond pharmaceuticals, 4,5-dichloro-1H-indole finds applications in agrochemical research. Its derivatives are investigated for their potential as pesticides and herbicides, contributing to sustainable agriculture. The compound's halogenated structure imparts stability and bioactivity, making it suitable for designing crop protection agents. With the growing demand for eco-friendly agrochemicals, this compound aligns with trends toward green chemistry and reduced environmental impact.

The synthesis of 4,5-dichloro-1H-indole typically involves electrophilic aromatic substitution reactions, with careful control of reaction conditions to ensure high yield and purity. Advanced techniques like microwave-assisted synthesis and catalyzed cross-coupling have been employed to optimize its production. Researchers also explore biocatalytic methods to enhance sustainability, reflecting the industry's shift toward green synthesis.

Market demand for 4,5-dichloro-1H-indole is driven by its applications in drug discovery and agrochemical innovation. The compound is available through specialized chemical suppliers, often with custom synthesis options. Pricing varies based on purity and scale, with bulk quantities preferred for industrial applications. Regulatory compliance, such as REACH and GMP standards, ensures its safe handling and use in research and production.

Recent advancements in computational chemistry have further highlighted the potential of 4,5-dichloro-1H-indole. Molecular docking studies and quantum mechanical calculations predict its interactions with biological targets, accelerating drug design. These innovations align with the rise of AI-driven drug discovery, a trending topic in the scientific community.

In summary, 4,5-dichloro-1H-indole (CAS No. 122509-73-3) is a multifaceted compound with significant implications for pharmaceuticals and agrochemicals. Its dichloro-substituted indole structure, combined with evolving synthetic methods, positions it as a valuable tool for researchers. As the industry prioritizes sustainable chemistry and targeted therapeutics, this compound will likely remain a focus of innovation.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:122509-73-3)4,5-Dichloroindole
sfd792
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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