Cas no 112279-71-7 (4-AMINO-2,3-DIFLUOROBENZONITRILE)

4-Amino-2,3-difluorobenzonitrile is a fluorinated aromatic compound featuring both an amino and a nitrile functional group. Its unique structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring selective fluorination. The presence of fluorine atoms enhances metabolic stability and bioavailability, while the amino and nitrile groups offer versatile reactivity for further derivatization. This compound is characterized by high purity and consistent performance, ensuring reliability in complex synthetic pathways. Its applications extend to materials science, where it serves as a building block for advanced polymers and specialty chemicals. Proper handling and storage are recommended due to its reactivity.
4-AMINO-2,3-DIFLUOROBENZONITRILE structure
112279-71-7 structure
Product Name:4-AMINO-2,3-DIFLUOROBENZONITRILE
CAS No:112279-71-7
MF:C7H4F2N2
MW:154.116868019104
MDL:MFCD09030642
CID:822277
PubChem ID:14621038
Update Time:2025-11-01

4-AMINO-2,3-DIFLUOROBENZONITRILE Chemical and Physical Properties

Names and Identifiers

    • 4-AMINO-2,3-DIFLUOROBENZONITRILE
    • 4-amino-2,3-diflorobenzonitrile
    • 2,3-Difluoro-4-aMinobenzonitrile
    • SCHEMBL9340535
    • SB76136
    • CS-0134998
    • DB-218717
    • 112279-71-7
    • SITORLJYAUMNMW-UHFFFAOYSA-N
    • DTXSID70562302
    • AKOS015964285
    • PS-8895
    • DS-2077
    • MFCD09030642
    • CL8199
    • C7H4F2N2
    • 4-Amino-2 pound not3-difluorobenzonitrile
    • 4-Amino-2,3-difluoro-benzonitrile
    • SY101437
    • J-002741
    • MDL: MFCD09030642
    • Inchi: 1S/C7H4F2N2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2
    • InChI Key: SITORLJYAUMNMW-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C#N)C=CC=1N)F

Computed Properties

  • Exact Mass: 154.03400
  • Monoisotopic Mass: 154.03425446g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 186
  • 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: 1.2
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 269 oC
  • Flash Point: 116 oC
  • PSA: 49.81000
  • LogP: 1.99988

4-AMINO-2,3-DIFLUOROBENZONITRILE 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 4-AMINO-2,3-DIFLUOROBENZONITRILE

4-AMINO-2,3-DIFLUOROBENZONITRILE: A Comprehensive Overview

4-Amino-2,3-difluorobenzonitrile (CAS No. 112279-71-7) is a versatile compound with significant applications in the fields of medicinal chemistry and materials science. This aromatic nitrile derivative features a benzene ring substituted with an amino group and two fluorine atoms, making it a valuable intermediate in the synthesis of various pharmaceuticals and functional materials.

The unique electronic and steric properties of 4-amino-2,3-difluorobenzonitrile have attracted considerable attention from researchers and industry professionals. The presence of the amino group and fluorine substituents imparts specific reactivity and stability characteristics, which are crucial for its diverse applications. Recent studies have highlighted its potential in the development of novel drugs, particularly in the areas of oncology and neurology.

In medicinal chemistry, 4-amino-2,3-difluorobenzonitrile serves as a key building block for the synthesis of bioactive molecules. Its ability to undergo various chemical transformations, such as coupling reactions and functional group modifications, makes it an ideal starting material for the design of targeted therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 4-amino-2,3-difluorobenzonitrile exhibit potent anticancer activity against multiple tumor cell lines. These findings underscore the compound's potential as a lead molecule in drug discovery programs.

Beyond its medicinal applications, 4-amino-2,3-difluorobenzonitrile has also found utility in materials science. Its electronic properties make it suitable for the development of advanced materials with tailored optical and electrical characteristics. Research conducted at the University of California, Berkeley, explored the use of 4-amino-2,3-difluorobenzonitrile-based polymers in organic photovoltaic devices. The results indicated that these polymers exhibit high charge carrier mobility and excellent photostability, making them promising candidates for next-generation solar cells.

The synthesis of 4-amino-2,3-difluorobenzonitrile involves several well-established chemical reactions. One common approach is the nitration of 2,3-difluorobenzoic acid followed by reduction to form the corresponding amine. Subsequent nitrile formation can be achieved through various methods, including cyanation reactions using cyanide salts or metal-catalyzed processes. The choice of synthetic route depends on factors such as yield, purity, and cost-effectiveness.

In terms of safety and handling, it is important to note that while 4-amino-2,3-difluorobenzonitrile is not classified as a hazardous substance under current regulations, proper precautions should be taken during its use. This includes wearing appropriate personal protective equipment (PPE) and working in well-ventilated areas to minimize exposure risks.

The market demand for 4-amino-2,3-difluorobenzonitrile has been steadily increasing due to its growing applications in pharmaceuticals and advanced materials. Major chemical suppliers offer high-purity grades of this compound to meet the stringent requirements of research laboratories and industrial processes. Additionally, custom synthesis services are available for clients with specific needs or large-scale production demands.

In conclusion, 4-amino-2,3-difluorobenzonitrile (CAS No. 112279-71-7) is a multifunctional compound with significant potential in both medicinal chemistry and materials science. Its unique structural features and versatile reactivity make it an indispensable tool for researchers and industry professionals seeking to develop innovative solutions in these fields. As ongoing research continues to uncover new applications and optimize synthetic methods, the importance of this compound is likely to grow even further.

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