Cas no 2591-16-4 (2-chloro-1,3-benzothiazol-6-ol)

2-chloro-1,3-benzothiazol-6-ol structure
2591-16-4 structure
Product Name:2-chloro-1,3-benzothiazol-6-ol
CAS No:2591-16-4
MF:C7H4ClNOS
MW:185.630759239197
MDL:MFCD00459764
CID:239764
PubChem ID:14749843
Update Time:2025-04-23

2-chloro-1,3-benzothiazol-6-ol Chemical and Physical Properties

Names and Identifiers

    • 6-Benzothiazolol,2-chloro-
    • 2-Chloro-6-hydroxybenzothiazole
    • 2-Chloro-1,3-benzothiazol-6-ol
    • MFCD00459764
    • 2-Chloro-6-benzothiazolol
    • AMY28869
    • PB42411
    • 2-chlorobenzothiazol-6-ol
    • 2591-16-4
    • P17488
    • DCQROWYFLXIWEB-UHFFFAOYSA-N
    • 2-chloro-1, 3-benzothiazol-6-ol
    • 2-chloro-6-hydroxy-benzothiazole
    • CS-0051981
    • 2-chloro-6-hyroxybenzothiazole
    • 2-Chlorobenzo[d]thiazol-6-ol
    • SCHEMBL779483
    • DTXSID901311998
    • CAA59116
    • EN300-1695559
    • AS-54095
    • FT-0724708
    • AKOS023824743
    • 6-Benzothiazolol,2-chloro-(7CI,9CI)
    • DB-149773
    • 2-chloro-1,3-benzothiazol-6-ol
    • MDL: MFCD00459764
    • Inchi: 1S/C7H4ClNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H
    • InChI Key: DCQROWYFLXIWEB-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C=CC(=CC=2S1)O

Computed Properties

  • Exact Mass: 184.97032
  • 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: 3.2
  • Topological Polar Surface Area: 61.4?2

Experimental Properties

  • PSA: 33.12

2-chloro-1,3-benzothiazol-6-ol Pricemore >>

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abcr
AB510848-1 g
2-Chloro-1,3-benzothiazol-6-ol, 95%; .
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Additional information on 2-chloro-1,3-benzothiazol-6-ol

6-Benzothiazolol, 2-chloro- (CAS No. 2591-16-4): Properties, Applications, and Market Insights

6-Benzothiazolol, 2-chloro- (CAS No. 2591-16-4) is a specialized organic compound belonging to the benzothiazole family. This heterocyclic compound features a chloro-substituted benzothiazole structure, making it a valuable intermediate in various chemical syntheses. With the growing interest in heterocyclic chemistry and specialty chemicals, this compound has garnered attention for its unique properties and applications.

The molecular formula of 2-chloro-6-benzothiazolol is C7H4ClNOS, and it typically appears as a light yellow to beige crystalline powder. Its benzothiazole core is known for contributing to thermal stability and electronic properties, which are crucial in advanced material science. Researchers often explore its derivatives for applications in pharmaceutical intermediates, agrochemicals, and functional materials.

One of the key reasons for the rising interest in CAS 2591-16-4 is its role in the development of high-performance dyes and optical brighteners. The compound's ability to absorb and emit light at specific wavelengths makes it useful in industries requiring precise colorants. Additionally, its derivatives are investigated for potential use in organic electronics, such as OLEDs and photovoltaic cells, aligning with the global push toward sustainable energy solutions.

In the pharmaceutical sector, 6-benzothiazolol derivatives are studied for their bioactive potential. While 2-chloro-6-benzothiazolol itself is not a drug, it serves as a precursor in synthesizing compounds with antimicrobial or anti-inflammatory properties. This aligns with current trends in drug discovery and medicinal chemistry, where researchers seek novel heterocyclic scaffolds.

The synthesis of 6-Benzothiazolol, 2-chloro- typically involves chlorination reactions of benzothiazole precursors under controlled conditions. Manufacturers focus on optimizing yield and purity to meet the demands of high-end applications. Recent advancements in green chemistry have also prompted explorations into eco-friendly synthesis routes, reducing hazardous byproducts.

From a market perspective, the demand for benzothiazole-based chemicals is influenced by industries such as textiles, coatings, and electronics. The compound's niche applications contribute to its steady growth, particularly in regions with strong specialty chemical sectors. Suppliers often highlight its high purity grades (≥98%) to cater to research and industrial needs.

Handling 2-chloro-6-benzothiazolol requires standard laboratory precautions, including proper ventilation and personal protective equipment. While not classified as highly hazardous, its chloro-functional group warrants careful storage away from reactive substances. Safety data sheets (SDS) provide detailed guidelines for transportation and storage.

Researchers frequently search for "benzothiazole derivatives uses" or "CAS 2591-16-4 suppliers," reflecting its commercial and academic relevance. The compound's role in material science innovations and life sciences continues to drive publications and patents, making it a subject of ongoing scientific inquiry.

In summary, 6-Benzothiazolol, 2-chloro- (CAS No. 2591-16-4) exemplifies the versatility of benzothiazole chemistry. Its applications span from industrial processes to cutting-edge research, positioning it as a compound of interest in evolving technological landscapes. As industries prioritize specialty chemicals and sustainable solutions, this compound is likely to maintain its relevance in scientific and commercial domains.

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