Cas no 161612-68-6 (2,4-Dichloro-3-fluorobenzonitrile)

2,4-Dichloro-3-fluorobenzonitrile is a halogenated benzonitrile derivative with the molecular formula C?H?Cl?FN. This compound is characterized by its dichloro and fluoro substituents on the aromatic ring, which enhance its reactivity and utility as an intermediate in organic synthesis. Its electron-withdrawing groups make it valuable for cross-coupling reactions, nucleophilic substitutions, and the preparation of agrochemicals or pharmaceuticals. The compound exhibits high purity and stability under standard conditions, ensuring consistent performance in synthetic applications. Its structural features also allow for further functionalization, making it a versatile building block in fine chemical synthesis. Proper handling and storage are recommended due to its potential reactivity.
2,4-Dichloro-3-fluorobenzonitrile structure
161612-68-6 structure
Product Name:2,4-Dichloro-3-fluorobenzonitrile
CAS No:161612-68-6
MF:C7H2Cl2FN
MW:190.001883029938
MDL:MFCD06658268
CID:65601
PubChem ID:19373911
Update Time:2025-10-28

2,4-Dichloro-3-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dichloro-3-fluorobenzonitrile
    • Benzonitrile, 2,4-dichloro-3-fluoro-
    • 2,4-dichloro-3-fluorophenyl-carbonitrile
    • DS-0783
    • AM61335
    • DTXSID50598482
    • FT-0643562
    • SCHEMBL8664256
    • MFCD06658268
    • 161612-68-6
    • 2,4-Dichloro-3-fluoro-benzonitrile
    • J-507114
    • AKOS015850447
    • CS-W015922
    • A21156
    • DB-043497
    • MDL: MFCD06658268
    • Inchi: 1S/C7H2Cl2FN/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
    • InChI Key: QWGPQHZYZNHITN-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=CC=1C#N)Cl)F

Computed Properties

  • Exact Mass: 188.95500
  • Monoisotopic Mass: 188.9548326g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.00418

2,4-Dichloro-3-fluorobenzonitrile 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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Additional information on 2,4-Dichloro-3-fluorobenzonitrile

Comprehensive Overview of 2,4-Dichloro-3-fluorobenzonitrile (CAS No. 161612-68-6)

2,4-Dichloro-3-fluorobenzonitrile (CAS No. 161612-68-6) is a specialized organic compound widely recognized for its unique chemical properties and applications in various industries. This compound belongs to the family of halogenated benzonitriles, which are known for their versatility in synthetic chemistry and material science. The presence of chlorine and fluorine substituents on the benzene ring enhances its reactivity, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

In recent years, the demand for 2,4-Dichloro-3-fluorobenzonitrile has surged due to its role in the development of next-generation electronic materials and sustainable agrochemicals. Researchers and manufacturers are increasingly focusing on eco-friendly synthesis methods, aligning with global trends toward green chemistry and reduced environmental impact. This compound's ability to act as a building block for high-performance polymers and liquid crystals has also garnered significant attention in the tech industry.

One of the most frequently asked questions about 2,4-Dichloro-3-fluorobenzonitrile is its safety profile and handling precautions. While it is not classified as a hazardous material under standard regulations, proper laboratory practices should always be followed to ensure safe usage. Another common query revolves around its solubility and stability under various conditions, which are critical for industrial applications. Studies have shown that this compound exhibits excellent stability in organic solvents, making it suitable for diverse chemical reactions.

The synthesis of 2,4-Dichloro-3-fluorobenzonitrile typically involves halogenation and cyanation reactions, with recent advancements focusing on catalytic methods to improve yield and purity. Innovations in flow chemistry and microwave-assisted synthesis have further optimized its production, reducing energy consumption and waste generation. These developments align with the growing emphasis on sustainable manufacturing and circular economy principles.

From a commercial perspective, 2,4-Dichloro-3-fluorobenzonitrile is gaining traction in the pharmaceutical industry, where it serves as a key intermediate for active pharmaceutical ingredients (APIs). Its structural features enable the creation of compounds with enhanced bioavailability and therapeutic efficacy. Additionally, its use in crop protection formulations has been explored, particularly in the design of herbicides and fungicides with lower environmental toxicity.

In the realm of materials science, 2,4-Dichloro-3-fluorobenzonitrile has shown promise in the development of organic semiconductors and photovoltaic materials. Its electron-withdrawing properties make it an ideal candidate for optoelectronic devices, such as OLEDs and solar cells. Researchers are also investigating its potential in supramolecular chemistry, where it could contribute to the design of molecular machines and self-assembling systems.

As the scientific community continues to explore the applications of 2,4-Dichloro-3-fluorobenzonitrile, its relevance in cutting-edge research and industrial innovation is expected to grow. Whether in drug discovery, agricultural science, or advanced materials, this compound exemplifies the intersection of chemistry and technology. For those seeking detailed technical data or sourcing information, consulting reputable chemical databases and supplier catalogs is highly recommended.

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