Cas no 329939-78-8 (4,5-Difluoro-2-nitro-benzamide)

4,5-Difluoro-2-nitro-benzamide is a fluorinated nitrobenzamide derivative with potential applications in pharmaceutical and agrochemical research. Its structure, featuring difluoro and nitro substituents, enhances reactivity and selectivity, making it a valuable intermediate in synthetic chemistry. The electron-withdrawing properties of the nitro and fluoro groups facilitate nucleophilic substitution reactions, enabling precise modifications for targeted compound development. This compound is particularly useful in the synthesis of bioactive molecules, including antimicrobial and antitumor agents, due to its ability to influence electronic and steric properties. High purity and stability under standard conditions further ensure its reliability in laboratory and industrial settings.
4,5-Difluoro-2-nitro-benzamide structure
329939-78-8 structure
Product Name:4,5-Difluoro-2-nitro-benzamide
CAS No:329939-78-8
MF:C7H4F2N2O3
MW:202.115068435669
CID:2856037
PubChem ID:710777
Update Time:2025-05-24

4,5-Difluoro-2-nitro-benzamide Chemical and Physical Properties

Names and Identifiers

    • 4,5-difluoro-2-nitro-phenylacetamide
    • 4,5-difluoro-2-nitrobenzamide;
    • 329939-78-8
    • AKOS011264839
    • 4,5-difluoro-2-nitrobenzamide
    • G10162
    • SCHEMBL404648
    • Oprea1_800796
    • XNUFBXKVFBOGTK-UHFFFAOYSA-N
    • CS-0451119
    • 4,5-Difluoro-2-nitro-benzamide
    • Inchi: 1S/C7H4F2N2O3/c8-4-1-3(7(10)12)6(11(13)14)2-5(4)9/h1-2H,(H2,10,12)
    • InChI Key: XNUFBXKVFBOGTK-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(=C(C(N)=O)C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 202.01900
  • Monoisotopic Mass: 202.01899832Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 256
  • 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: 0.8
  • Topological Polar Surface Area: 88.9?2

Experimental Properties

  • PSA: 88.91000
  • LogP: 2.19540

4,5-Difluoro-2-nitro-benzamide Pricemore >>

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Additional information on 4,5-Difluoro-2-nitro-benzamide

4,5-Difluoro-2-Nitro-Benzamide: A Comprehensive Overview

The compound 4,5-Difluoro-2-Nitro-Benzamide (CAS No. 329939-78-8) is a highly specialized aromatic amide derivative with significant applications in various fields of organic chemistry. This compound has garnered attention due to its unique structural properties and potential uses in drug discovery, materials science, and chemical synthesis. In this article, we will delve into the structural characteristics, synthesis methods, applications, and recent advancements related to 4,5-Difluoro-2-Nitro-Benzamide.

4,5-Difluoro-2-Nitro-Benzamide consists of a benzene ring substituted with a nitro group at the 2-position and two fluorine atoms at the 4 and 5 positions. The amide functional group further enhances its reactivity and versatility in chemical reactions. The presence of electron-withdrawing groups like nitro and fluoro substituents significantly influences the electronic properties of the molecule, making it a valuable intermediate in organic synthesis.

Recent studies have highlighted the importance of 4,5-Difluoro-2-Nitro-Benzamide in the development of novel pharmaceutical agents. Researchers have explored its role as a precursor in the synthesis of bioactive compounds with potential anti-inflammatory, antiviral, and anticancer properties. For instance, a 2023 study published in *Journal of Medicinal Chemistry* demonstrated that derivatives of 4,5-Difluoro-2-Nitro-Benzamide exhibit promising activity against certain enzyme targets associated with neurodegenerative diseases.

The synthesis of 4,5-Difluoro-2-Nitro-Benzamide typically involves multi-step processes that include nitration, fluorination, and amide formation. A notable advancement in its synthesis was reported in a 2023 paper in *Organic Process Research & Development*, where a novel catalytic system was employed to enhance reaction efficiency and yield. This method not only reduces production costs but also minimizes environmental impact by lowering waste generation.

In addition to its pharmaceutical applications, 4,5-Difluoro-2-Nitro-Benzamide has found utility in materials science. Its ability to form stable complexes with metal ions makes it a candidate for use in coordination polymers and metal-organic frameworks (MOFs). A 2023 study in *Chemistry of Materials* highlighted its potential as a building block for constructing porous materials with applications in gas storage and catalysis.

The electronic properties of 4,5-Difluoro-2-Nitro-Benzamide also make it an interesting subject for computational chemistry studies. Researchers have utilized density functional theory (DFT) to investigate its electronic structure and reactivity patterns. These studies provide insights into its potential as an electrophilic reagent or nucleophile in various organic transformations.

From an environmental standpoint, understanding the degradation pathways of 4,5-Difluoro-2-Nitro-Benzamide is crucial for assessing its ecological impact. Recent research has focused on biodegradation studies under controlled conditions to evaluate its persistence in natural environments. Results from a 2023 study published in *Environmental Science & Technology* suggest that under aerobic conditions, the compound undergoes rapid microbial degradation, reducing concerns about long-term environmental accumulation.

In conclusion, 4,5-Difluoro-2-Nitro-Benzamide (CAS No. 329939-78-8) is a versatile compound with diverse applications across multiple disciplines. Its unique structural features and reactivity make it an invaluable tool in organic synthesis and materials science. As research continues to uncover new potentials for this compound, it is poised to play an even greater role in advancing scientific innovation.

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