Cas no 96489-54-2 (2-chloro-1,3-benzothiazol-7-ol)

2-chloro-1,3-benzothiazol-7-ol is a versatile heterocyclic compound with significant applications in pharmaceuticals and agrochemicals. It possesses a unique 1,3-benzothiazole ring structure, which contributes to its potent antibacterial and antifungal properties. The chloro substituent enhances its reactivity, facilitating synthetic transformations. This compound offers high purity and stability, making it an ideal starting material for the synthesis of biologically active molecules.
2-chloro-1,3-benzothiazol-7-ol structure
96489-54-2 structure
Product Name:2-chloro-1,3-benzothiazol-7-ol
CAS No:96489-54-2
MF:C7H4ClNOS
MW:185.630759239197
MDL:MFCD18415694
CID:800352
PubChem ID:18966969
Update Time:2025-10-16

2-chloro-1,3-benzothiazol-7-ol Chemical and Physical Properties

Names and Identifiers

    • 7-Benzothiazolol,2-chloro-
    • 7-Benzothiazolol,2-chloro-(9CI)
    • 2-chloro-1,3-benzothiazol-7-ol
    • P15336
    • 2-Chlorobenzo[d]thiazol-7-ol
    • SCHEMBL9305900
    • AKOS023824741
    • 2-chloro-7-hydroxybenzothiazole
    • 96489-54-2
    • CS-0051980
    • WDA48954
    • AS-52556
    • MFCD18415694
    • MDL: MFCD18415694
    • Inchi: 1S/C7H4ClNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H
    • InChI Key: WNYYLFBWDIBLGA-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C=CC=C(C=2S1)O

Computed Properties

  • Exact Mass: 184.9702126g/mol
  • Monoisotopic Mass: 184.9702126g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 157
  • 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: 3
  • Topological Polar Surface Area: 61.4?2

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Additional information on 2-chloro-1,3-benzothiazol-7-ol

7-Benzothiazolol,2-chloro- (CAS No. 96489-54-2): Properties, Applications, and Market Insights

7-Benzothiazolol,2-chloro- (CAS No. 96489-54-2) is a specialized organic compound belonging to the benzothiazole family. This heterocyclic compound has garnered significant attention in recent years due to its unique chemical properties and versatile applications across various industries. Researchers and manufacturers are increasingly exploring its potential in pharmaceutical intermediates, agrochemical formulations, and material science applications.

The molecular structure of 2-chloro-7-benzothiazolol features a benzothiazole core with a chlorine substituent at the 2-position and a hydroxyl group at the 7-position. This specific arrangement contributes to its distinctive electronic properties and reactivity patterns, making it valuable for synthetic chemistry applications. Recent studies in green chemistry have highlighted its potential as a building block for more sustainable chemical processes, aligning with current industry trends toward environmentally friendly solutions.

In the pharmaceutical sector, 7-Benzothiazolol,2-chloro- serves as a crucial intermediate for developing various therapeutic agents. Its structural features make it particularly interesting for drug discovery programs targeting neurological disorders and inflammatory conditions. The compound's ability to participate in diverse cross-coupling reactions has made it valuable for creating novel molecular architectures in medicinal chemistry.

The agrochemical industry utilizes 2-chloro-7-benzothiazolol in the synthesis of crop protection agents. Its derivatives have shown promising activity as fungicides and plant growth regulators, addressing the growing global demand for efficient agricultural solutions. With increasing focus on food security and sustainable farming practices, this compound has gained relevance in developing next-generation agrochemicals.

Material science applications of 7-Benzothiazolol,2-chloro- include its use in synthesizing organic semiconductors and photoactive materials. Researchers are investigating its potential in OLED technology and solar cell applications, particularly for creating more efficient light-emitting and energy conversion materials. These developments align with current trends in renewable energy and electronic device miniaturization.

The global market for benzothiazole derivatives including 96489-54-2 has shown steady growth, driven by increasing demand from the pharmaceutical and agrochemical sectors. Market analysts project continued expansion, particularly in the Asia-Pacific region, where chemical innovation and manufacturing capabilities are rapidly advancing. Quality standards and regulatory compliance remain key considerations for suppliers and end-users alike.

From a technical perspective, proper handling and storage of 7-Benzothiazolol,2-chloro- require attention to standard laboratory practices. While not classified as hazardous under normal conditions, appropriate safety measures should be observed during handling, consistent with good chemical management protocols. The compound typically appears as a crystalline solid with specific solubility characteristics that influence its application methods.

Recent innovations in chemical synthesis have improved production methods for 2-chloro-7-benzothiazolol, enhancing yield and purity while reducing environmental impact. These advancements support the compound's growing role in green chemistry initiatives and sustainable manufacturing processes. Researchers continue to explore novel catalytic systems and atom-efficient reactions for its preparation.

Quality control for CAS 96489-54-2 involves rigorous analytical techniques including HPLC analysis, spectroscopic characterization, and melting point determination. Reputable suppliers provide comprehensive certificates of analysis and maintain strict quality assurance protocols to ensure consistency across batches. These measures are particularly important for pharmaceutical and high-tech applications where purity standards are critical.

The scientific literature contains numerous studies investigating the structure-activity relationships of 7-Benzothiazolol,2-chloro- derivatives. These investigations have revealed valuable insights into how modifications to the benzothiazole core influence biological activity and material properties. Such fundamental research supports ongoing innovation across multiple application areas.

Looking ahead, 7-Benzothiazolol,2-chloro- is poised to maintain its importance in specialty chemistry applications. Emerging research directions include its potential in bioconjugation chemistry, catalytic systems, and as a scaffold for molecular probes. The compound's versatility ensures it will remain relevant as new applications continue to be discovered in response to evolving technological and societal needs.

For researchers and industry professionals seeking detailed technical information about CAS No. 96489-54-2, consulting peer-reviewed journals, patent literature, and reliable chemical databases is recommended. These sources provide comprehensive data on synthesis methods, physical properties, and application-specific performance characteristics of this valuable chemical intermediate.

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