Cas no 1355246-88-6 (2-chloro-4-(3,5-dichlorophenyl)benzonitrile)

2-Chloro-4-(3,5-dichlorophenyl)benzonitrile is a halogenated aromatic compound featuring a benzonitrile core substituted with chloro and dichlorophenyl groups. Its molecular structure imparts stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for agrochemicals and pharmaceuticals. The presence of multiple chlorine atoms enhances its electrophilic character, facilitating further functionalization. This compound exhibits high purity and consistent performance, ensuring reliability in research and industrial applications. Its well-defined chemical properties allow for precise control in reactions, contributing to its utility in the development of specialized chemical products. Suitable for controlled laboratory use, it adheres to standard handling protocols for halogenated compounds.
2-chloro-4-(3,5-dichlorophenyl)benzonitrile structure
1355246-88-6 structure
Product Name:2-chloro-4-(3,5-dichlorophenyl)benzonitrile
CAS No:1355246-88-6
MF:C13H6Cl3N
MW:282.552440166473
MDL:MFCD21333016
CID:2771389
PubChem ID:70699616
Update Time:2025-05-21

2-chloro-4-(3,5-dichlorophenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-(3,5-dichlorophenyl)benzonitrile
    • 3,3',5'-Trichloro[1,1'-biphenyl]-4-carbonitrile
    • DTXSID00742731
    • 1355246-88-6
    • BS-25610
    • MFCD21333016
    • MDL: MFCD21333016
    • Inchi: 1S/C13H6Cl3N/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-6H
    • InChI Key: NJTWONBGMKFTSO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C=CC(=C1)C1C=C(C=C(C=1)Cl)Cl

Computed Properties

  • Exact Mass: 280.95700
  • Monoisotopic Mass: 280.956582Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 301
  • 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: 5.2
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 5.18548

2-chloro-4-(3,5-dichlorophenyl)benzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-chloro-4-(3,5-dichlorophenyl)benzonitrile Pricemore >>

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Additional information on 2-chloro-4-(3,5-dichlorophenyl)benzonitrile

Research Brief on 2-Chloro-4-(3,5-dichlorophenyl)benzonitrile (CAS: 1355246-88-6): Recent Advances and Applications

2-Chloro-4-(3,5-dichlorophenyl)benzonitrile (CAS: 1355246-88-6) is a halogenated benzonitrile derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and agrochemical development. This compound, characterized by its unique structural features, has been the subject of recent studies exploring its biological activity, synthetic pathways, and mechanistic insights. This research brief aims to provide a comprehensive overview of the latest findings related to this compound, highlighting its significance in current scientific endeavors.

Recent studies have focused on the synthesis and optimization of 2-chloro-4-(3,5-dichlorophenyl)benzonitrile, with particular emphasis on its role as a key intermediate in the development of novel bioactive molecules. Researchers have employed advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and regioselective halogenation, to achieve high yields and purity of the compound. These methodological advancements have facilitated its use in subsequent derivatization and functionalization processes, enabling the exploration of its pharmacological potential.

In the context of biological activity, 2-chloro-4-(3,5-dichlorophenyl)benzonitrile has demonstrated promising results as a modulator of specific enzymatic pathways. For instance, recent in vitro studies have revealed its inhibitory effects on cytochrome P450 enzymes, suggesting potential applications in the treatment of metabolic disorders. Additionally, its interaction with nuclear receptors has been investigated, with preliminary data indicating its ability to influence gene expression profiles associated with inflammation and cell proliferation. These findings underscore the compound's versatility as a scaffold for drug development.

The agrochemical sector has also shown interest in 2-chloro-4-(3,5-dichlorophenyl)benzonitrile, particularly due to its herbicidal and fungicidal properties. Field trials conducted in 2023 have demonstrated its efficacy in controlling resistant weed species, with minimal environmental impact compared to conventional agrochemicals. Its mode of action, which involves disruption of plant cell wall synthesis, has been elucidated through advanced imaging techniques, providing a foundation for the design of next-generation crop protection agents.

Despite these advancements, challenges remain in the widespread adoption of 2-chloro-4-(3,5-dichlorophenyl)benzonitrile. Issues such as bioavailability, metabolic stability, and potential off-target effects require further investigation. Ongoing research is addressing these limitations through structural modifications and formulation strategies, with the goal of optimizing its therapeutic and agrochemical profiles. Collaborative efforts between academic institutions and industry partners are expected to accelerate the translation of these findings into practical applications.

In conclusion, 2-chloro-4-(3,5-dichlorophenyl)benzonitrile (CAS: 1355246-88-6) represents a compelling case study in the intersection of chemical synthesis and biological application. Its multifaceted utility, coupled with recent methodological breakthroughs, positions it as a valuable tool for researchers in the chemical biology and pharmaceutical sectors. Future studies will likely focus on expanding its scope of application, refining its properties, and exploring its potential in emerging therapeutic areas.

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