Cas no 504404-34-6 (3-chloro-4-fluorobenzene-1-carboximidamide)

3-Chloro-4-fluorobenzene-1-carboximidamide is a versatile intermediate in organic synthesis, particularly valued for its role in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound features a carboximidamide functional group, which enhances its reactivity in condensation and cyclization reactions. The presence of chloro and fluoro substituents on the benzene ring imparts electron-withdrawing effects, influencing both its stability and reactivity in electrophilic and nucleophilic processes. This makes it a useful building block for constructing heterocyclic frameworks or modifying molecular scaffolds. Its well-defined structure and consistent purity ensure reliable performance in synthetic applications, supporting research and industrial-scale production.
3-chloro-4-fluorobenzene-1-carboximidamide structure
504404-34-6 structure
Product Name:3-chloro-4-fluorobenzene-1-carboximidamide
CAS No:504404-34-6
MF:C7H6ClFN2
MW:172.58734369278
MDL:MFCD00213374
CID:366951
PubChem ID:2730161
Update Time:2025-11-01

3-chloro-4-fluorobenzene-1-carboximidamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide,3-chloro-4-fluoro-
    • 3-CHLORO-4-FLUORO-BENZAMIDINE
    • 3-chloro-4-fluorobenzenecarboximidamide
    • 3-Chloro-4-fluorobenzimidamide
    • 3-chloro-4-fluorobenzene-1-carboximidamide
    • EN300-304848
    • SCHEMBL17737722
    • 504404-34-6
    • AKOS012393599
    • SB37395
    • DTXSID00369629
    • MDL: MFCD00213374
    • Inchi: 1S/C7H6ClFN2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H3,10,11)
    • InChI Key: JEKDVUSWMBGDNX-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(C(=N)N)=C1)F

Computed Properties

  • Exact Mass: 172.02000
  • Monoisotopic Mass: 172.0203541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 1.7
  • Topological Polar Surface Area: 49.9?2

Experimental Properties

  • PSA: 49.87000
  • LogP: 2.56320

3-chloro-4-fluorobenzene-1-carboximidamide Pricemore >>

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Additional information on 3-chloro-4-fluorobenzene-1-carboximidamide

Recent Advances in the Study of 3-Chloro-4-Fluorobenzene-1-Carboximidamide (CAS: 504404-34-6) in Chemical Biology and Pharmaceutical Research

The compound 3-chloro-4-fluorobenzene-1-carboximidamide (CAS: 504404-34-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This molecule, characterized by its unique structural features, has been explored for its potential as a key intermediate in the synthesis of various bioactive compounds. Recent studies have highlighted its role in the development of novel therapeutic agents, particularly in the areas of antimicrobial and anticancer research.

One of the most notable advancements in the study of 3-chloro-4-fluorobenzene-1-carboximidamide is its incorporation into the design of small-molecule inhibitors targeting specific enzymes and receptors. For instance, researchers have utilized this compound as a scaffold to develop inhibitors of protein kinases, which play a critical role in cell signaling pathways associated with cancer progression. The chloro and fluoro substituents on the benzene ring have been shown to enhance the binding affinity and selectivity of these inhibitors, making them promising candidates for further preclinical evaluation.

In addition to its applications in oncology, 3-chloro-4-fluorobenzene-1-carboximidamide has also been investigated for its antimicrobial properties. Recent studies have demonstrated its efficacy against a range of bacterial and fungal pathogens, including drug-resistant strains. The mechanism of action appears to involve disruption of microbial cell wall synthesis, although further research is needed to fully elucidate the underlying pathways. These findings underscore the potential of this compound as a lead structure for the development of new antimicrobial agents.

The synthesis and optimization of 3-chloro-4-fluorobenzene-1-carboximidamide derivatives have also been a focus of recent research. Advances in synthetic chemistry have enabled the efficient production of various analogs with improved pharmacokinetic properties. For example, modifications to the carboximidamide moiety have been shown to enhance the compound's solubility and bioavailability, addressing some of the challenges associated with its clinical translation. These developments highlight the importance of structural optimization in maximizing the therapeutic potential of this compound.

Despite these promising findings, several challenges remain in the development of 3-chloro-4-fluorobenzene-1-carboximidamide-based therapeutics. Issues such as off-target effects, toxicity, and metabolic stability need to be carefully addressed in future studies. Nevertheless, the growing body of research on this compound underscores its significance in the field of chemical biology and pharmaceutical research. Continued exploration of its applications and mechanisms of action is expected to yield valuable insights and contribute to the discovery of new therapeutic agents.

In conclusion, 3-chloro-4-fluorobenzene-1-carboximidamide (CAS: 504404-34-6) represents a promising scaffold for the development of novel bioactive compounds. Its diverse applications in drug discovery, coupled with recent advancements in synthetic and medicinal chemistry, position it as a valuable tool for researchers in the field. Future studies should focus on addressing the remaining challenges and further elucidating its potential in various therapeutic areas.

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