Cas no 700-48-1 (4,6-Dibromobenzothiazole)

4,6-Dibromobenzothiazole is a brominated heterocyclic compound primarily used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its key advantages include high reactivity due to the presence of two bromine substituents, which facilitate further functionalization via cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. The benzothiazole core contributes to its stability and versatility in constructing complex molecular architectures. This compound is valued for its consistent purity and reliability in synthetic applications, making it a preferred choice for researchers developing bioactive compounds or advanced materials. Proper handling is required due to its potential sensitivity to moisture and light.
4,6-Dibromobenzothiazole structure
4,6-Dibromobenzothiazole structure
Product Name:4,6-Dibromobenzothiazole
CAS No:700-48-1
MF:C7H3Br2NS
MW:292.978418588638
CID:840991
Update Time:2025-10-28

4,6-Dibromobenzothiazole Chemical and Physical Properties

Names and Identifiers

    • 1-BOC-4-hydroxy-piperidine-4-carbonitrile
    • 4,6-Dibromobenzo[d]thiazole
    • Benzothiazole, 4,6-dibromo-
    • 4,6-DIBROMOBENZOTHIAZOLE
    • 4,6-Dibromobenzothiazole
    • Inchi: 1S/C7H3Br2NS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
    • InChI Key: IIQFYLMDHBRKCK-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC2=C1N=CS2)Br

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Topological Polar Surface Area: 41.1

4,6-Dibromobenzothiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$ 50.00 2022-01-09
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$ 65.00 2022-01-09
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$184.00 2023-05-18
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Additional information on 4,6-Dibromobenzothiazole

Comprehensive Overview of 4,6-Dibromobenzothiazole (CAS No. 700-48-1): Properties, Applications, and Industry Insights

4,6-Dibromobenzothiazole (CAS 700-48-1) is a halogenated heterocyclic compound that has garnered significant attention in pharmaceutical, agrochemical, and material science research. With the molecular formula C7H3Br2NS, this brominated benzothiazole derivative exhibits unique reactivity due to its electron-deficient aromatic system, making it a versatile intermediate in synthetic chemistry. The compound's high purity and thermal stability have positioned it as a critical building block for advanced applications.

Recent trends in green chemistry and sustainable synthesis have driven interest in optimizing production methods for 4,6-Dibromobenzothiazole. Researchers are exploring catalytic bromination techniques to improve yield while minimizing waste—a response to growing environmental concerns. The compound's role in OLED materials and organic semiconductors has also surged, aligning with the global push for energy-efficient display technologies. Analytical techniques like HPLC and GC-MS are routinely employed to verify the compound's purity, reflecting industry demands for precise quality control.

In pharmaceutical applications, 700-48-1 serves as a precursor for bioactive molecules targeting inflammation and microbial resistance—topics dominating medical research. Its structural motif appears in kinase inhibitors and antiviral agents, addressing current healthcare challenges. The agrochemical sector utilizes this intermediate in developing next-generation pesticides with improved selectivity, responding to stricter environmental regulations worldwide.

From a commercial perspective, 4,6-Dibromobenzothiazole suppliers emphasize batch-to-batch consistency, with technical specifications typically listing ≥98% purity. Storage recommendations highlight protection from moisture and light to maintain stability—a key consideration for industrial users. Pricing trends reflect fluctuations in bromine feedstock availability, a factor monitored by procurement specialists across industries.

Emerging studies investigate the compound's potential in corrosion inhibition and polymer modification, expanding its utility beyond traditional applications. Regulatory compliance remains paramount, with manufacturers adhering to REACH and other global chemical management frameworks. As analytical instrumentation advances, new characterization data continues to refine our understanding of this structurally intriguing molecule.

The scientific community actively publishes on 700-48-1 synthetic routes, with recent journals highlighting atom-economical approaches. Patent analysis reveals growing IP activity around benzothiazole derivatives, particularly in electronic materials. For researchers, the compound's X-ray crystallography data provides valuable insights into molecular packing—information critical for materials engineering.

Industrial scale-up challenges for 4,6-Dibromobenzothiazole production often focus on bromine utilization efficiency, with process intensification strategies gaining traction. Quality benchmarks now frequently include residual solvent limits, reflecting heightened purity requirements in end-use applications. The compound's spectroscopic fingerprints (IR, NMR) serve as important reference standards for analytical laboratories worldwide.

Looking ahead, innovation in heterocyclic chemistry will likely uncover new applications for this brominated scaffold. Its compatibility with cross-coupling reactions maintains relevance in medicinal chemistry, while materials scientists value its electron-transport properties. With proper handling protocols and advancing synthetic methodologies, CAS 700-48-1 continues to demonstrate multifaceted importance across scientific disciplines.

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