Cas no 677304-83-5 (1,3-benzothiazole-7-carboxylic acid)

1,3-benzothiazole-7-carboxylic acid structure
677304-83-5 structure
Product Name:1,3-benzothiazole-7-carboxylic acid
CAS No:677304-83-5
MF:C8H5NO2S
MW:179.195800542831
MDL:MFCD13195419
CID:836057
PubChem ID:45076984
Update Time:2025-07-19

1,3-benzothiazole-7-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Benzo[d]thiazole-7-carboxylic acid
    • 1,3-BENZOTHIAZOLE-7-CARBOXYLIC ACID
    • 7-Benzothiazolecarboxylic acid
    • 7-Benzothiazolecarboxylicacid(9CI)
    • Benzothiazole-7-carboxylic acid
    • ORSZGLLQNYSMNO-UHFFFAOYSA-N
    • STL557331
    • BBL103521
    • RP24054
    • FCH1157414
    • 7-BENZO[D]THIAZOLECARBOXYLIC ACID
    • OR305043
    • AX8211665
    • AB0026203
    • ST2
    • AU-004/43508393
    • FS-3000
    • AKOS015856646
    • SCHEMBL260609
    • J-519736
    • FT-0722830
    • Benzo[d]thiazole-7-carboxylicacid
    • EN300-747030
    • CS-0005609
    • SB38264
    • MFCD13195419
    • 677304-83-5
    • DTXSID90663229
    • AC-27153
    • AMY21106
    • Z1255417294
    • DA-17108
    • 1,3-benzothiazole-7-carboxylic acid
    • MDL: MFCD13195419
    • Inchi: 1S/C8H5NO2S/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h1-4H,(H,10,11)
    • InChI Key: ORSZGLLQNYSMNO-UHFFFAOYSA-N
    • SMILES: S1C=NC2C=CC=C(C(=O)O)C1=2

Computed Properties

  • Exact Mass: 179.00400
  • Monoisotopic Mass: 179.00409958g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 198
  • 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: 78.4
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.508
  • Melting Point: No data available
  • Boiling Point: 387.7°C at 760 mmHg
  • Flash Point: 188.3±20.4 °C
  • Refractive Index: 1.732
  • PSA: 78.43000
  • LogP: 1.99450
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1,3-benzothiazole-7-carboxylic acid Security Information

1,3-benzothiazole-7-carboxylic acid 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%

1,3-benzothiazole-7-carboxylic acid Pricemore >>

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1,3-benzothiazole-7-carboxylic acid Production Method

Additional information on 1,3-benzothiazole-7-carboxylic acid

Comprehensive Overview of 1,3-Benzothiazole-7-carboxylic acid (CAS No. 677304-83-5): Properties, Applications, and Research Insights

1,3-Benzothiazole-7-carboxylic acid (CAS No. 677304-83-5) is a specialized organic compound belonging to the benzothiazole family, a class of heterocyclic structures known for their diverse applications in pharmaceuticals, agrochemicals, and material science. This compound features a carboxylic acid functional group at the 7-position of the benzothiazole core, which enhances its reactivity and utility in synthetic chemistry. Researchers and industries are increasingly interested in this molecule due to its potential as a building block for drug discovery, fluorescent probes, and coordination chemistry.

The growing demand for high-performance organic compounds in medicinal chemistry has spotlighted derivatives like 1,3-benzothiazole-7-carboxylic acid. Its structural motif is frequently explored in the design of kinase inhibitors, antimicrobial agents, and bioimaging tools. Recent studies highlight its role in developing targeted therapies for diseases such as cancer and neurodegenerative disorders, aligning with the trend toward precision medicine. Additionally, its photophysical properties make it valuable for optical materials and sensor technologies.

From a synthetic perspective, CAS 677304-83-5 serves as a versatile intermediate. Its carboxylic acid group allows for easy derivatization into esters, amides, or metal complexes, broadening its applicability in catalysis and polymer science. Environmental considerations also drive interest in this compound, as researchers seek sustainable synthesis methods to minimize waste and energy consumption. Questions like "How to synthesize 1,3-benzothiazole-7-carboxylic acid efficiently?" or "What are its biological activities?" are frequently searched, reflecting its relevance in both academic and industrial settings.

In material science, 1,3-benzothiazole-7-carboxylic acid contributes to advancements in organic electronics and luminescent materials. Its incorporation into coordination polymers or metal-organic frameworks (MOFs) has been investigated for applications in gas storage and molecular sensing. The compound’s thermal stability and electronic properties further support its use in optoelectronic devices, a hot topic in renewable energy research.

Quality control and analytical characterization of CAS 677304-83-5 are critical for ensuring reproducibility in research. Techniques like HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to verify purity and structure. As regulatory standards tighten, users often search for "1,3-benzothiazole-7-carboxylic acid suppliers" or "spectral data for CAS 677304-83-5," emphasizing the need for reliable sourcing and data transparency.

In summary, 1,3-benzothiazole-7-carboxylic acid (CAS No. 677304-83-5) is a multifaceted compound with significant potential across scientific disciplines. Its integration into drug development, advanced materials, and green chemistry initiatives underscores its importance in contemporary research. By addressing common queries and aligning with trends like AI-assisted molecular design and circular economy principles, this overview aims to provide a valuable resource for professionals and enthusiasts alike.

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