Cas no 68266-70-6 (BENZENE, 2,5-DICHLORO-1,3-DIMETHYL-)

BENZENE, 2,5-DICHLORO-1,3-DIMETHYL- structure
68266-70-6 structure
Product Name:BENZENE, 2,5-DICHLORO-1,3-DIMETHYL-
CAS No:68266-70-6
MF:C8H8Cl2
MW:175.05512046814
CID:3372226
PubChem ID:5324737
Update Time:2025-04-24

BENZENE, 2,5-DICHLORO-1,3-DIMETHYL- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 2,5-DICHLORO-1,3-DIMETHYL-
    • NUXAUCXMSVFGME-UHFFFAOYSA-N
    • BS-17431
    • D80667
    • MFCD29044040
    • AKOS028111793
    • CS-0161512
    • DTXSID70415940
    • 68266-70-6
    • SCHEMBL765882
    • InChI=1/C8H8Cl2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H
    • 2,5-dichloro-1,3-dimethylbenzene
    • Inchi: 1S/C8H8Cl2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
    • InChI Key: NUXAUCXMSVFGME-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=CC(=CC=1C)Cl

Computed Properties

  • Exact Mass: 174.0003056g/mol
  • Monoisotopic Mass: 174.0003056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 102
  • 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: 3.9
  • Topological Polar Surface Area: 0?2

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Additional information on BENZENE, 2,5-DICHLORO-1,3-DIMETHYL-

Introduction to BENZENE, 2,5-DICHLORO-1,3-DIMETHYL (CAS No. 68266-70-6)

BENZENE, 2,5-DICHLORO-1,3-DIMETHYL, identified by the Chemical Abstracts Service Number (CAS No.) 68266-70-6, is a significant organic compound that has garnered considerable attention in the field of chemical and pharmaceutical research. This compound, characterized by its chlorinated and dimethyl-substituted benzene ring structure, exhibits unique chemical properties that make it a valuable intermediate in synthetic chemistry and a subject of interest in various industrial applications.

The molecular structure of BENZENE, 2,5-DICHLORO-1,3-DIMETHYL consists of a benzene core substituted with two chlorine atoms at the 2- and 5-positions and two methyl groups at the 1- and 3-positions. This specific arrangement imparts distinct reactivity patterns, making it a versatile building block for the synthesis of more complex molecules. The presence of chlorine atoms enhances the electrophilic aromatic substitution reactions, while the methyl groups contribute to steric and electronic effects that influence the compound's overall behavior.

In recent years, BENZENE, 2,5-DICHLORO-1,3-DIMETHYL has been extensively studied for its potential applications in pharmaceutical development. Its structural features allow for modifications that can lead to the creation of novel bioactive compounds. Researchers have explored its utility in synthesizing intermediates for various therapeutic agents, including those targeting neurological disorders and inflammatory conditions. The compound's ability to undergo selective functionalization has made it a focal point in efforts to develop new drugs with improved efficacy and reduced side effects.

One of the most compelling aspects of BENZENE, 2,5-DICHLORO-1,3-DIMETHYL is its role in the development of advanced materials. The chlorinated aromatic ring can serve as a precursor for polymers and coatings with enhanced thermal stability and chemical resistance. These properties are particularly valuable in industries where materials are exposed to harsh environments or require long-term durability. Additionally, the compound's reactivity makes it suitable for use in organic electronics, where precise control over molecular structure is crucial for optimizing device performance.

The synthesis of BENZENE, 2,5-DICHLORO-1,3-DIMETHYL typically involves multi-step reactions starting from commercially available benzene derivatives. Advanced catalytic methods have been developed to improve yield and selectivity during these processes. For instance, palladium-catalyzed cross-coupling reactions have been employed to introduce chlorine atoms at specific positions with high precision. Similarly, directed ortho-metalation strategies have been utilized to install methyl groups in a controlled manner. These synthetic approaches highlight the compound's importance as a synthetic intermediate and underscore the ongoing efforts to optimize its production.

Recent research has also delved into the environmental impact of BENZENE, 2,5-DICHLORO-1,3-DIMETHYL, focusing on its degradation pathways and potential ecological effects. Studies have shown that under certain conditions, this compound can undergo biodegradation through microbial action, although the rates are influenced by environmental factors such as pH and temperature. Understanding these degradation mechanisms is crucial for assessing its sustainability in industrial applications and for developing strategies to minimize any potential environmental footprint.

The pharmaceutical industry has been particularly interested in exploring the therapeutic potential of derivatives of BENZENE, 2,5-DICHLORO-1,3-DIMETHYL. By modifying its structure through further functionalization, researchers aim to create molecules that can interact selectively with biological targets. For example, studies have investigated its role as a scaffold for kinase inhibitors, which are essential in treating cancers and inflammatory diseases. The ability to fine-tune the electronic properties of this compound allows scientists to design molecules with tailored binding affinities and pharmacokinetic profiles.

In conclusion,BENZENE, 2, 5-DICHLORO, 1, 3-DIMETHYL (CAS No. 68266-70-6) is a multifaceted compound with broad applications across chemical synthesis and material science. Its unique structural features enable diverse modifications that have significant implications for pharmaceutical development and advanced material engineering. As research continues to uncover new ways to utilize this compound,BENZENE, 2, 5-DICHLORO, 1, 3-DIMETHYL is poised to remain a cornerstone in both academic research and industrial innovation.

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