Cas no 898771-54-5 (3-(2,5-Dichlorobenzoyl)thiophene)

3-(2,5-Dichlorobenzoyl)thiophene is a specialized organic compound featuring a thiophene ring substituted with a 2,5-dichlorobenzoyl group. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The dichlorobenzoyl moiety enhances electrophilic properties, facilitating selective cross-coupling reactions, while the thiophene core contributes to electronic diversity in heterocyclic systems. Its high purity and stability under standard conditions ensure consistent performance in complex organic transformations. The compound is particularly useful in the development of active ingredients requiring precise halogenated aromatic frameworks. Proper handling under controlled conditions is recommended due to its potential sensitivity to moisture and light.
3-(2,5-Dichlorobenzoyl)thiophene structure
898771-54-5 structure
Product Name:3-(2,5-Dichlorobenzoyl)thiophene
CAS No:898771-54-5
MF:C11H6Cl2OS
MW:257.135739803314
MDL:MFCD07699046
CID:868840
PubChem ID:24723416
Update Time:2025-11-03

3-(2,5-Dichlorobenzoyl)thiophene Chemical and Physical Properties

Names and Identifiers

    • (2,5-dichlorophenyl)-thiophen-3-ylmethanone
    • 3-(2,5-DICHLOROBENZOYL)THIOPHENE
    • MFCD07699046
    • 898771-54-5
    • AKOS009499086
    • DTXSID00641856
    • (2,5-Dichlorophenyl)(thiophen-3-yl)methanone
    • 3-(2,5-Dichlorobenzoyl)thiophene
    • MDL: MFCD07699046
    • Inchi: 1S/C11H6Cl2OS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6H
    • InChI Key: XPDCRXCCIJETNR-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C(C1=CSC=C1)=O)Cl

Computed Properties

  • Exact Mass: 255.95200
  • Monoisotopic Mass: 255.9516414g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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: 4.2
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Density: 1.421
  • Boiling Point: 379.5°C at 760 mmHg
  • Flash Point: 183.3°C
  • Refractive Index: 1.628
  • PSA: 45.31000
  • LogP: 4.28590

3-(2,5-Dichlorobenzoyl)thiophene Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(2,5-Dichlorobenzoyl)thiophene Pricemore >>

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Additional information on 3-(2,5-Dichlorobenzoyl)thiophene

3-(2,5-Dichlorobenzoyl)thiophene: A Comprehensive Overview

3-(2,5-Dichlorobenzoyl)thiophene (CAS No. 898771-54-5) is a compound of significant interest in the fields of organic chemistry and materials science. This molecule, characterized by its unique structure featuring a thiophene ring substituted with a 2,5-dichlorobenzoyl group, has garnered attention due to its potential applications in various industries. The benzoyl group attached to the thiophene ring introduces interesting electronic properties, making it a valuable compound for research and development.

The synthesis of 3-(2,5-Dichlorobenzoyl)thiophene involves a series of well-established organic reactions. The starting material typically includes a thiophene derivative, which undergoes nucleophilic substitution or coupling reactions to introduce the benzoyl group. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing purity. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining high yields.

One of the most promising applications of 3-(2,5-Dichlorobenzoyl)thiophene lies in its potential as a building block for advanced materials. The compound's aromaticity and electron-withdrawing groups make it suitable for use in organic electronics. For instance, studies have shown that incorporating this compound into polymer blends can enhance their electrical conductivity, making them viable candidates for flexible electronics and sensors.

Recent research has also focused on the photophysical properties of 3-(2,5-Dichlorobenzoyl)thiophene. By modifying the substituents on the benzoyl group, scientists have been able to tune the compound's absorption and emission spectra. This property is particularly useful in the development of organic light-emitting diodes (OLEDs), where precise control over light emission is crucial. Experimental results indicate that this compound exhibits strong fluorescence under UV excitation, suggesting its potential use in bioimaging and sensing applications.

In addition to its electronic properties, 3-(2,5-Dichlorobenzoyl)thiophene has shown promise in pharmaceutical research. The molecule's ability to interact with biological systems has led to investigations into its potential as an anti-inflammatory or anticancer agent. Preclinical studies have demonstrated moderate activity against certain cancer cell lines, although further research is needed to establish its efficacy and safety profile.

The environmental impact of 3-(2,5-Dichlorobenzoyl)thiophene is another area of growing interest. As industries increasingly prioritize sustainability, researchers are exploring methods to synthesize this compound using renewable feedstocks and eco-friendly catalysts. Biocatalytic approaches using enzymes or microbial systems have shown potential for producing this compound with reduced environmental footprint.

In conclusion, 3-(2,5-Dichlorobenzoyl)thiophene (CAS No. 898771-54-5) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and tunable properties make it an attractive candidate for further research and development. As advancements in synthetic methods and material science continue to unfold, this compound is poised to play an increasingly important role in shaping future technologies.

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