Cas no 318463-07-9 (4,7-Dichlorobenzobthiophene)

4,7-Dichlorobenzothiophene is a halogenated heterocyclic compound featuring a benzothiophene core substituted with chlorine atoms at the 4 and 7 positions. This structure imparts enhanced reactivity and stability, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The dichloro substitution pattern facilitates selective functionalization, enabling precise modifications for target applications. Its high purity and consistent performance ensure reliability in cross-coupling reactions and other transformations. The compound’s robust aromatic system also contributes to its utility in materials science, where it may serve as a building block for conjugated polymers or electronic materials.
4,7-Dichlorobenzobthiophene structure
4,7-Dichlorobenzobthiophene structure
Product Name:4,7-Dichlorobenzobthiophene
CAS No:318463-07-9
MF:C8H4Cl2S
MW:203.088358879089
MDL:MFCD15144703
CID:819949
PubChem ID:22346221
Update Time:2025-05-19

4,7-Dichlorobenzobthiophene Chemical and Physical Properties

Names and Identifiers

    • 4,7-Dichlorobenzo[b]thiophene
    • 4,7-Dichloro benzothiophene
    • 4,7-dichloro-1-benzothiophene
    • 4,7-Dichloro-benzo[b]thiophene
    • ANW-69552
    • CTK8C3030
    • PubChem15355
    • AKOS015898770
    • DB-068534
    • DTXSID00625070
    • 4,7-DICHLOROBENZOTHIOPHENE
    • 318463-07-9
    • SCHEMBL13885158
    • 4,7-Dichlorobenzobthiophene
    • MDL: MFCD15144703
    • Inchi: 1S/C8H4Cl2S/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
    • InChI Key: JNIOIHBMZGPVRZ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C2=C1C=CS2)Cl

Computed Properties

  • Exact Mass: 201.94122
  • Monoisotopic Mass: 201.9410767g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • 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: 4.2
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0

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4,7-Dichlorobenzobthiophene Suppliers

Amadis Chemical Company Limited
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(CAS:318463-07-9)4,7-Dichlorobenzobthiophene
Order Number:A5738
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):577.0

Additional information on 4,7-Dichlorobenzobthiophene

Professional Introduction to 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9)

4,7-Dichlorobenzobthiophene, identified by the Chemical Abstracts Service Number (CAS No.) 318463-07-9, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science due to its unique structural and electronic properties. This compound belongs to the benzobthiophene class, characterized by a fused ring system consisting of a benzene ring and a thiophene ring. The presence of chlorine substituents at the 4th and 7th positions enhances its reactivity and makes it a valuable intermediate in the synthesis of more complex molecules.

The structural motif of 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9) imparts distinct electronic characteristics, making it a promising candidate for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The conjugated system of the benzobthiophene core allows for efficient charge transport, which is critical for the performance of these devices. Recent studies have highlighted its potential in developing high-efficiency electron-transport materials (ETMs) and hole-transport materials (HTMs), contributing to advancements in next-generation display technologies.

In the realm of pharmaceutical research, 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9) has been explored as a key building block in the synthesis of bioactive molecules. Its rigid fused-ring structure provides a stable scaffold for further functionalization, enabling the development of novel therapeutic agents. For instance, derivatives of this compound have been investigated for their antimicrobial and anti-inflammatory properties. The chlorine atoms at the 4th and 7th positions serve as reactive sites for nucleophilic substitution reactions, allowing chemists to introduce diverse pharmacophores and tailor the biological activity of the resulting compounds.

One notable application of 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9) is in the field of medicinal chemistry, where it has been utilized in the design of small-molecule inhibitors targeting specific enzymatic pathways involved in diseases such as cancer and neurodegenerative disorders. The benzobthiophene core is known to exhibit favorable interactions with biological targets due to its ability to mimic natural product scaffolds. Researchers have leveraged this property to develop potent and selective inhibitors that disrupt disease-causing pathways without significant off-target effects.

Recent advancements in synthetic methodologies have further expanded the utility of 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9). Transition-metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, have enabled efficient functionalization of the aromatic rings, allowing for the introduction of aryl, alkenyl, and heteroaryl groups. These modifications have led to the discovery of new compounds with enhanced pharmacological properties. Additionally, computational studies have been instrumental in predicting the reactivity and binding affinity of 4,7-Dichlorobenzobthiophene derivatives, facilitating rational drug design.

The versatility of 4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9) also extends to materials science applications beyond organic electronics. Its ability to form stable polymers with high thermal stability has made it a candidate for use in high-performance polymers used in aerospace and automotive industries. These polymers exhibit excellent mechanical strength and resistance to extreme temperatures, making them suitable for demanding applications where traditional materials may fail.

In conclusion,4,7-Dichlorobenzobthiophene (CAS No. 318463-07-9) represents a multifaceted compound with significant potential across multiple scientific disciplines. Its unique structural features make it an invaluable intermediate in pharmaceutical synthesis and an attractive material for advanced technological applications. As research continues to uncover new methodologies for its functionalization and application development,4,7-Dichlorobenzobthiophene is poised to play an increasingly important role in shaping future innovations in medicine and materials science.

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Amadis Chemical Company Limited
(CAS:318463-07-9)4,7-Dichlorobenzobthiophene
A5738
Purity:99%
Quantity:1g
Price ($):577.0
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