Cas no 134450-56-9 (4,5-Difluorophthalonitrile)

4,5-Difluorophthalonitrile is a fluorinated aromatic nitrile compound primarily used as a key intermediate in the synthesis of advanced materials, including phthalocyanine dyes and high-performance polymers. Its difluoro substitution enhances reactivity and selectivity in nucleophilic aromatic substitution reactions, making it valuable for constructing complex molecular architectures. The electron-withdrawing properties of the fluorine atoms improve thermal and chemical stability, while the nitrile groups offer versatile functionalization pathways. This compound is particularly useful in organic electronics, optoelectronics, and specialty coatings due to its ability to fine-tune material properties. High purity grades ensure consistent performance in demanding applications. Proper handling is required due to its potential toxicity.
4,5-Difluorophthalonitrile structure
4,5-Difluorophthalonitrile structure
Product Name:4,5-Difluorophthalonitrile
CAS No:134450-56-9
MF:C8H2F2N2
MW:164.111688137054
MDL:MFCD00061281
CID:866761
PubChem ID:125307534
Update Time:2025-10-05

4,5-Difluorophthalonitrile Chemical and Physical Properties

Names and Identifiers

    • 4,5-Difluorophthalonitrile
    • 1,2-Dicyano-4,5-difluorobenzene
    • 4,5-difluoro-1,2-Benzenedicarbonitrile
    • 4,5-Difluorophthlonitrile
    • NULL
    • 4,5-difluorobenzene-1,2-dicarbonitrile
    • 1,2-Benzenedicarbonitrile, 4,5-difluoro-
    • C8H2F2N2
    • 6198AA
    • FCH1414638
    • AX8247461
    • D3963
    • MFCD00061281
    • AKOS015852974
    • AS-46763
    • F10413
    • 134450-56-9
    • SCHEMBL2783854
    • DTXSID10474793
    • SY054572
    • KNDUBEZZKOOYMJ-UHFFFAOYSA-N
    • DB-294923
    • CS-0157898
    • MDL: MFCD00061281
    • Inchi: 1S/C8H2F2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
    • InChI Key: KNDUBEZZKOOYMJ-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(C#N)=C(C#N)C=1)F

Computed Properties

  • Exact Mass: 164.01900
  • Monoisotopic Mass: 164.01860440 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 47.6
  • Molecular Weight: 164.11
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 112.0 to 116.0 deg-C
  • Solubility: Almost insoluble (0.087 g/l) (25 o C),
  • PSA: 47.58000
  • LogP: 1.70816

4,5-Difluorophthalonitrile Security Information

4,5-Difluorophthalonitrile 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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4,5-Difluorophthalonitrile Production Method

4,5-Difluorophthalonitrile Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:134450-56-9)4,5-Difluorophthalonitrile
Order Number:sfd16173
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 4,5-Difluorophthalonitrile

4,5-Difluorophthalonitrile (CAS No. 134450-56-9): An Overview of Its Properties, Applications, and Recent Research

4,5-Difluorophthalonitrile (CAS No. 134450-56-9) is a versatile organic compound with a unique chemical structure that has garnered significant attention in various scientific and industrial applications. This compound, characterized by its two fluorine atoms and two cyano groups, exhibits a range of properties that make it valuable in fields such as pharmaceuticals, materials science, and chemical synthesis.

The molecular formula of 4,5-Difluorophthalonitrile is C8H2F2N2, and its molecular weight is approximately 170.1 g/mol. The compound is a colorless solid at room temperature and has a high melting point of around 130°C. Its high thermal stability and chemical reactivity are key attributes that contribute to its widespread use in various synthetic processes.

In the realm of pharmaceutical research, 4,5-Difluorophthalonitrile has been explored as an intermediate in the synthesis of novel drugs. The presence of fluorine atoms in the molecule can significantly influence the pharmacological properties of the final product, enhancing its bioavailability and metabolic stability. Recent studies have highlighted its potential in the development of antiviral agents and anticancer drugs. For instance, a 2022 study published in the Journal of Medicinal Chemistry reported the synthesis of a series of 4,5-Difluorophthalonitrile-derived compounds with potent antiviral activity against influenza viruses.

Beyond pharmaceuticals, 4,5-Difluorophthalonitrile has found applications in materials science. Its unique electronic properties make it an attractive candidate for the development of advanced materials such as semiconductors and polymers. Researchers at the University of California, Berkeley, have utilized 4,5-Difluorophthalonitrile as a building block in the synthesis of conjugated polymers with enhanced electronic conductivity. These polymers have potential applications in organic photovoltaics and flexible electronics.

The synthetic versatility of 4,5-Difluorophthalonitrile is another factor contributing to its importance in chemical research. It can undergo various reactions such as nucleophilic substitution, electrophilic addition, and coupling reactions to form a wide array of derivatives. A notable example is its use in the preparation of fluoroaromatic compounds through palladium-catalyzed cross-coupling reactions. A 2021 study published in the Journal of Organic Chemistry demonstrated an efficient method for synthesizing fluoroaryl ethers using 4,5-Difluorophthalonitrile as a starting material.

The environmental impact of chemicals is an increasingly important consideration in their development and use. Studies on the environmental fate and toxicity of 4,5-Difluorophthalonitrile are limited but ongoing. Preliminary data suggest that it has low acute toxicity and is not readily biodegradable. However, further research is needed to fully understand its long-term environmental effects.

In conclusion, 4,5-Difluorophthalonitrile (CAS No. 134450-56-9) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique chemical structure and properties make it an invaluable intermediate in pharmaceutical research, materials science, and chemical synthesis. Ongoing research continues to uncover new possibilities for its use, highlighting its importance in advancing scientific knowledge and technological innovation.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:134450-56-9)4,5-Difluorophthalonitrile
sfd16173
Purity:99.9%
Quantity:200kg
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