Cas no 89281-26-5 (1-(3,5-Dichloro-thiophen-2-yl)-ethanone)

1-(3,5-Dichloro-thiophen-2-yl)-ethanone structure
89281-26-5 structure
Product Name:1-(3,5-Dichloro-thiophen-2-yl)-ethanone
CAS No:89281-26-5
MF:C6H4Cl2OS
MW:195.066358566284
CID:1094272
PubChem ID:22143064
Update Time:2025-04-24

1-(3,5-Dichloro-thiophen-2-yl)-ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,5-Dichloro-thiophen-2-yl)-ethanone
    • 1-(3,5-dichlorothiophen-2-yl)ethanone
    • 89281-26-5
    • SCHEMBL5100241
    • 1-(3,5-dichlorothiophen-2-yl)ethan-1-one
    • Inchi: 1S/C6H4Cl2OS/c1-3(9)6-4(7)2-5(8)10-6/h2H,1H3
    • InChI Key: KPGXBGZADBMUMG-UHFFFAOYSA-N
    • SMILES: ClC1C=C(SC=1C(C)=O)Cl

Computed Properties

  • Exact Mass: 193.9359913g/mol
  • Monoisotopic Mass: 193.9359913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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: 45.3?2

1-(3,5-Dichloro-thiophen-2-yl)-ethanone Pricemore >>

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Additional information on 1-(3,5-Dichloro-thiophen-2-yl)-ethanone

1-(3,5-Dichloro-thiophen-2-yl)-ethanone (CAS No. 89281-26-5): A Comprehensive Overview

1-(3,5-Dichloro-thiophen-2-yl)-ethanone (CAS No. 89281-26-5) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research, agrochemical development, and material science. This chlorinated thiophene derivative is characterized by its unique molecular structure, which combines a thiophene ring with two chlorine substituents and an acetyl group. The compound's distinct properties make it a valuable intermediate in the synthesis of more complex molecules.

The growing interest in 1-(3,5-Dichloro-thiophen-2-yl)-ethanone can be attributed to several factors, including the increasing demand for novel heterocyclic compounds in drug discovery and the rising importance of thiophene-based materials in organic electronics. Researchers are particularly interested in how the electron-withdrawing chlorine atoms influence the compound's reactivity and potential applications. Recent studies have explored its use as a building block for pharmaceutical intermediates, with particular focus on its role in developing new therapeutic agents.

From a chemical perspective, 1-(3,5-Dichloro-thiophen-2-yl)-ethanone exhibits interesting physical and chemical properties. The compound typically appears as a crystalline solid with moderate solubility in common organic solvents. Its molecular weight of 209.08 g/mol and specific structural features contribute to its utility in various synthetic pathways. The presence of both the thiophene moiety and the acetyl group provides two distinct reactive sites, making it a versatile intermediate for further chemical modifications.

In the pharmaceutical industry, 1-(3,5-Dichloro-thiophen-2-yl)-ethanone has shown promise as a precursor for several drug candidates. Its structural framework is particularly relevant in the development of central nervous system (CNS) active compounds and anti-inflammatory agents. The compound's ability to serve as a scaffold for more complex molecules has made it valuable in medicinal chemistry research, especially in projects targeting neurological disorders and chronic inflammatory conditions.

The agrochemical sector has also recognized the potential of 1-(3,5-Dichloro-thiophen-2-yl)-ethanone. Its derivatives have been investigated for their potential as crop protection agents, with particular interest in their possible fungicidal and herbicidal activities. The chlorinated thiophene structure appears to contribute to biological activity against various plant pathogens, making it an interesting lead compound for new agrochemical development.

Recent advancements in synthetic chemistry have improved the production methods for 1-(3,5-Dichloro-thiophen-2-yl)-ethanone, making it more accessible for research and development purposes. Modern green chemistry approaches have been applied to its synthesis, focusing on reducing environmental impact while maintaining high yields and purity. These developments align with current industry trends toward more sustainable chemical production methods.

Quality control and analytical characterization of 1-(3,5-Dichloro-thiophen-2-yl)-ethanone are crucial aspects of its commercial and research applications. Standard analytical techniques such as HPLC, GC-MS, and NMR spectroscopy are routinely employed to verify the compound's purity and identity. These quality assurance measures ensure that the material meets the stringent requirements of pharmaceutical and agrochemical applications.

The market for 1-(3,5-Dichloro-thiophen-2-yl)-ethanone has shown steady growth in recent years, driven by increasing research activity in relevant fields. Suppliers typically offer the compound in various quantities, from small research samples to bulk quantities for industrial applications. Pricing trends reflect the compound's specialized nature and the complexity of its synthesis, with purity grades ranging from technical to pharmaceutical standards.

Storage and handling of 1-(3,5-Dichloro-thiophen-2-yl)-ethanone require standard laboratory precautions. The compound should be kept in a cool, dry environment, protected from light and moisture. While not classified as highly hazardous, proper personal protective equipment should be used when handling the material, including gloves and eye protection, in accordance with general laboratory safety protocols.

Future research directions for 1-(3,5-Dichloro-thiophen-2-yl)-ethanone are likely to focus on expanding its applications in medicinal chemistry and materials science. There is particular interest in exploring its potential in the development of organic semiconductors and photovoltaic materials, where thiophene derivatives have shown significant promise. Additionally, its role in the synthesis of novel biologically active compounds continues to be an active area of investigation.

For researchers and industry professionals seeking information about 1-(3,5-Dichloro-thiophen-2-yl)-ethanone, several key resources are available. Technical data sheets provide essential information about the compound's properties, while scientific literature offers insights into its various applications. Ongoing studies continue to reveal new aspects of this interesting chlorinated thiophene derivative, ensuring its place as a valuable tool in chemical research and development.

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