Cas no 5435-92-7 (2-Chloro-4-phenylbenzonitrile)

2-Chloro-4-phenylbenzonitrile is a versatile aromatic nitrile compound characterized by the presence of a chloro substituent and a phenyl group on the benzonitrile scaffold. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing nitrile group and halogenated aromatic system enhance its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The compound's stability and well-defined reactivity profile facilitate precise functionalization, enabling the construction of complex molecular architectures. It is typically handled under standard laboratory conditions, with appropriate precautions for halogenated and nitrile-containing compounds.
2-Chloro-4-phenylbenzonitrile structure
2-Chloro-4-phenylbenzonitrile structure
Product Name:2-Chloro-4-phenylbenzonitrile
CAS No:5435-92-7
MF:C13H8ClN
MW:213.662322044373
MDL:MFCD14701624
CID:940843
PubChem ID:228444
Update Time:2025-05-20

2-Chloro-4-phenylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-[1,1'-biphenyl]-4-carbonitrile
    • 2-chloro-4-phenylbenzonitrile
    • 3-chlorobiphenyl-4-carbonitrile
    • 2-chloro-4-phenyl-benzonitrile
    • 3-Chlor-4-cyan-biphenyl
    • 3-Chlor-biphenyl-4-carbonitril
    • 3-chloro-biphenyl-4-carbonitrile
    • NSC-21381
    • AKOS016008425
    • G68851
    • BS-28768
    • NSC21381
    • NSC 21381
    • SCHEMBL21084000
    • CS-0212548
    • MFCD14701624
    • 5435-92-7
    • DB-356880
    • DTXSID80281355
    • 3-Chloro-[1,1-biphenyl]-4-carbonitrile
    • 2-Chloro-4-phenylbenzonitrile
    • MDL： MFCD14701624
    • Inchi： 1S/C13H8ClN/c14-13-8-11(6-7-12(13)9-15)10-4-2-1-3-5-10/h1-8H
    • InChI Key： IMWQWLRTJSOMIT-UHFFFAOYSA-N
    • SMILES： ClC1=C(C#N)C=CC(=C1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 213.03500
  • Monoisotopic Mass: 213.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 249
  • 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: 4.4
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 370.1°C at 760 mmHg
  • Flash Point: 163.4°C
  • Refractive Index: 1.628
  • PSA: 23.79000
  • LogP: 3.87868

2-Chloro-4-phenylbenzonitrile 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%

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2-Chloro-4-phenylbenzonitrile Production Method

2-Chloro-4-phenylbenzonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:5435-92-7)2-Chloro-4-phenylbenzonitrile
Order Number:A1164783
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 00:22
Price ($):324.0

2-Chloro-4-phenylbenzonitrile Related Literature

Additional information on 2-Chloro-4-phenylbenzonitrile

2-Chloro-4-phenylbenzonitrile: A Comprehensive Overview

The compound 2-Chloro-4-phenylbenzonitrile, identified by the CAS number 5435-92-7, is a significant organic compound with a diverse range of applications in various fields. This compound is characterized by its unique structure, which includes a benzonitrile group and a chlorine atom at specific positions on the aromatic ring. The presence of these functional groups imparts distinct chemical properties, making it a valuable molecule in both academic research and industrial applications.

Recent studies have highlighted the potential of 2-Chloro-4-phenylbenzonitrile in the field of medicinal chemistry. Researchers have explored its role as a building block for synthesizing bioactive compounds, particularly in the development of novel pharmaceutical agents. The compound's ability to undergo various chemical transformations, such as nucleophilic substitution and coupling reactions, has made it an attractive candidate for drug design. For instance, its use in constructing heterocyclic frameworks has shown promise in targeting specific biological pathways associated with diseases like cancer and neurodegenerative disorders.

In addition to its medicinal applications, 2-Chloro-4-phenylbenzonitrile has found utility in organic synthesis as an intermediate for producing more complex molecules. Its stability under certain reaction conditions allows for precise control during synthesis, which is crucial for obtaining high-purity products. Furthermore, the compound's electronic properties make it suitable for use in materials science, particularly in the development of advanced materials such as conductive polymers and organic semiconductors.

The synthesis of 2-Chloro-4-phenylbenzonitrile typically involves multi-step processes that require careful optimization. One common approach involves the chlorination of benzonitrile derivatives followed by phenylation at specific positions on the aromatic ring. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and improving yields.

From an environmental perspective, understanding the fate and behavior of 2-Chloro-4-phenylbenzonitrile in different ecosystems is crucial. Studies have shown that the compound exhibits moderate biodegradability under aerobic conditions, with microbial degradation being a key pathway. However, further research is needed to assess its long-term impact on aquatic and terrestrial environments, particularly in light of its increasing industrial use.

In conclusion, 2-Chloro-4-phenylbenzonitrile (CAS No. 5435-92-7) stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its role as a key intermediate in organic synthesis, coupled with its potential in drug discovery and materials science, underscores its importance in modern chemistry. As research continues to uncover new facets of this compound's properties and applications, it is likely to remain a focal point for both academic and industrial endeavors.

5435-92-7 (2-Chloro-4-phenylbenzonitrile) Related Products

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Amadis Chemical Company Limited
(CAS:5435-92-7)2-Chloro-4-phenylbenzonitrile
A1164783
Purity:99%
Quantity:5g
Price ($):324.0
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