Cas no 767-70-4 (7-bromo-1,3-benzothiazole)

7-Bromo-1,3-benzothiazole is a heterocyclic aromatic compound featuring a bromine substituent at the 7-position of the benzothiazole scaffold. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and materials science. The bromine moiety enables cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the introduction of diverse functional groups. Its rigid benzothiazole core contributes to stability and electronic properties, enhancing its utility in designing bioactive molecules or optoelectronic materials. The compound is typically handled under inert conditions due to its sensitivity to moisture and light.
7-bromo-1,3-benzothiazole structure
7-bromo-1,3-benzothiazole structure
Product Name:7-bromo-1,3-benzothiazole
CAS No:767-70-4
MF:C7H4BrNS
MW:214.082359313965
MDL:MFCD11858589
CID:823812
PubChem ID:11521350
Update Time:2025-06-10

7-bromo-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 7-Bromobenzothiazole
    • 7-Bromobenzo[d]thiazole
    • 7-bromo-1,3-benzothiazole
    • 7-BROMO-BENZOTHIAZOLE
    • Benzothiazole, 7-bromo-
    • 7-bromanyl-1,3-benzothiazole
    • 7-Brombenzothiazol
    • BENZOTHIAZOLE,7-BROMO
    • Benzothiazole, 7-bromo- (7CI,8CI)
    • AMOT0047
    • HIHGDDIOQDNKSV-UHFFFAOYSA-N
    • PB17880
    • AM85408
    • SY033684
    • ST2412513
    • W8350
    • A21766
    • A838823
    • Z247334
    • FS-3403
    • FT-0645587
    • CS-D0222
    • AKOS015920365
    • Z1269130621
    • SCHEMBL659126
    • EN300-258487
    • MFCD11858589
    • 767-70-4
    • DTXSID80467975
    • 7-Bromobenzothiazole;
    • MDL: MFCD11858589
    • Inchi: 1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
    • InChI Key: HIHGDDIOQDNKSV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2=C1SC=N2

Computed Properties

  • Exact Mass: 212.92500
  • Monoisotopic Mass: 212.92478g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • 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
  • Topological Polar Surface Area: 41.1
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.748±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 82 oC
  • Boiling Point: 291.5±13.0 oC (760 Torr),
  • Flash Point: 130.1±19.8 oC,
  • Solubility: Slightly soluble (11 g/l) (25 o C),
  • PSA: 41.13000
  • LogP: 3.05880

7-bromo-1,3-benzothiazole Security Information

7-bromo-1,3-benzothiazole Customs Data

  • HS CODE:2934200090
  • Customs Data:

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 7-bromo-1,3-benzothiazole

Professional Introduction to 7-bromo-1,3-benzothiazole (CAS No. 767-70-4)

7-bromo-1,3-benzothiazole, with the chemical formula C?H?BrN?S, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical and chemical research. This compound is characterized by its bromine substituent on the benzothiazole core, which makes it a versatile intermediate in the synthesis of various bioactive molecules. TheCAS No. 767-70-4 uniquely identifies this substance and underscores its importance in industrial and academic settings.

The benzothiazole scaffold is a privileged structure in medicinal chemistry due to its broad spectrum of biological activities. It is commonly found in numerous pharmacologically active agents, including antimicrobial, antiviral, anti-inflammatory, and anticancer drugs. The introduction of a bromine atom at the 7-position of the benzothiazole ring enhances its reactivity and utility in further derivatization, making it a valuable building block for drug discovery efforts.

In recent years, there has been a surge in research focused on developing novel therapeutic agents derived from benzothiazole derivatives. The7-bromo-1,3-benzothiazole serves as a crucial precursor in synthesizing complex molecules that target specific disease pathways. For instance, studies have demonstrated its role in generating compounds that exhibit potent inhibitory effects on enzymes such as tyrosine kinases and proteases, which are implicated in cancer progression.

One of the most compelling aspects of7-bromo-1,3-benzothiazole is its ability to undergo various chemical transformations, including nucleophilic aromatic substitution, cross-coupling reactions, and cyclization processes. These reactions enable the construction of diverse molecular architectures with tailored biological properties. Researchers have leveraged these synthetic possibilities to develop new analogs with enhanced pharmacokinetic profiles and reduced toxicities.

The pharmaceutical industry has shown particular interest in7-bromo-1,3-benzothiazole due to its potential as a lead compound for drug development. Preclinical studies have highlighted its efficacy in models of inflammation and neurodegeneration. For example, derivatives of this compound have been investigated for their ability to modulate inflammatory cytokine production and protect against oxidative stress-induced neuronal damage.

Moreover, theCAS No. 767-70-4-identified compound has found applications beyond traditional pharmaceuticals. It is increasingly used in materials science for the development of organic semiconductors and luminescent materials. The bromine substituent facilitates further functionalization, allowing chemists to design molecules with specific electronic and optical properties.

The synthesis of7-bromo-1,3-benzothiazole typically involves multi-step organic reactions starting from commercially available precursors such as thiourea and bromobenzene derivatives. Advances in synthetic methodologies have improved the efficiency and scalability of these processes, making it more accessible for large-scale production. This accessibility is crucial for supporting both academic research and industrial applications.

In conclusion, 7-bromo-1,3-benzothiazole (CAS No. 767-70-4) is a multifaceted compound with significant implications in pharmaceutical chemistry and materials science. Its unique structural features and reactivity make it an indispensable tool for researchers seeking to develop novel therapeutic agents and functional materials. As scientific understanding continues to evolve, theCAS No. 767-70-4-denoted compound will undoubtedly remain at the forefront of innovation in these fields.

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