Cas no 89641-03-2 (1-(Difluoromethyl)-2-fluoro-4-nitrobenzene)

1-(Difluoromethyl)-2-fluoro-4-nitrobenzene structure
89641-03-2 structure
Product Name:1-(Difluoromethyl)-2-fluoro-4-nitrobenzene
CAS No:89641-03-2
MF:C7H4F3NO2
MW:191.107372283936
CID:4986228
Update Time:2025-04-23

1-(Difluoromethyl)-2-fluoro-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(difluoromethyl)-2-fluoro-4-nitrobenzene
    • 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene
    • Inchi: 1S/C7H4F3NO2/c8-6-3-4(11(12)13)1-2-5(6)7(9)10/h1-3,7H
    • InChI Key: YCDXUPWJDHZXHV-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C(F)F)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 195
  • XLogP3: 2.5
  • Topological Polar Surface Area: 45.8

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Additional information on 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene

1-(Difluoromethyl)-2-fluoro-4-nitrobenzene (CAS No. 89641-03-2): Properties, Applications, and Market Insights

1-(Difluoromethyl)-2-fluoro-4-nitrobenzene (CAS No. 89641-03-2) is a fluorinated aromatic compound with significant importance in modern chemical research and industrial applications. This compound, characterized by its unique difluoromethyl and nitro functional groups, has garnered attention due to its versatile reactivity and potential uses in pharmaceuticals, agrochemicals, and material science. In this article, we delve into its properties, synthesis methods, applications, and current market trends, while addressing common questions and search queries related to this compound.

The molecular structure of 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene features a benzene ring substituted with a difluoromethyl group at the 1-position, a fluorine atom at the 2-position, and a nitro group at the 4-position. This arrangement imparts distinct electronic and steric properties, making it a valuable intermediate in organic synthesis. Researchers often explore its reactivity in nucleophilic aromatic substitution (SNAr) reactions, where the nitro group enhances the ring's electrophilicity, facilitating further functionalization.

One of the most searched questions about 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene is its role in pharmaceutical development. Fluorinated compounds, including this derivative, are increasingly used in drug design due to their ability to improve metabolic stability and bioavailability. The difluoromethyl group is particularly noteworthy, as it can serve as a bioisostere for hydroxyl or methyl groups, influencing the pharmacokinetic properties of potential drug candidates. Recent studies highlight its utility in the synthesis of kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutics.

In agrochemical applications, 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene is explored as a building block for herbicides and fungicides. The incorporation of fluorine atoms often enhances the biological activity of agrochemicals, providing improved pest resistance and environmental stability. Industry trends indicate a rising interest in fluorine-containing compounds, driven by the need for sustainable and efficient crop protection solutions. This compound's nitro group also offers a handle for further chemical modifications, enabling the development of tailored agrochemicals.

From a synthetic perspective, the preparation of 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene typically involves the nitration of a pre-fluorinated benzene derivative, followed by the introduction of the difluoromethyl group via halogen exchange or other fluorination techniques. Researchers frequently search for optimized synthetic routes to improve yield and selectivity, reflecting the compound's industrial relevance. Green chemistry principles are increasingly applied to these processes, minimizing waste and energy consumption.

The market for 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene is influenced by the expanding demand for fluorinated fine chemicals. Key players in the pharmaceutical and agrochemical sectors are investing in fluorine chemistry, creating opportunities for suppliers and manufacturers of this compound. Regional analyses show growth in Asia-Pacific, where chemical production capabilities are rapidly advancing. Additionally, regulatory frameworks emphasizing safer chemical processes are shaping its commercial landscape.

Environmental and safety considerations are also frequently searched topics related to 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene. While fluorinated compounds are generally stable, proper handling and disposal protocols are essential to mitigate any potential risks. Researchers emphasize the importance of life cycle assessments to evaluate the environmental impact of its production and use, aligning with global sustainability goals.

In conclusion, 1-(Difluoromethyl)-2-fluoro-4-nitrobenzene (CAS No. 89641-03-2) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and materials science. Its unique structural features, including the difluoromethyl and nitro groups, make it a valuable intermediate for innovative chemical solutions. As industry trends and research continue to evolve, this compound is poised to play a pivotal role in addressing contemporary challenges in drug discovery and sustainable agriculture.

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