Cas no 1234010-04-8 (1-(2-Fluoro-6-nitrophenyl)piperazine)

1-(2-Fluoro-6-nitrophenyl)piperazine is a fluorinated nitrophenylpiperazine derivative with potential applications in pharmaceutical and chemical research. Its structure, featuring a fluorine substituent and a nitro group on the phenyl ring, enhances its reactivity and utility as an intermediate in the synthesis of bioactive compounds. The electron-withdrawing effects of the nitro and fluoro groups make it a valuable precursor for further functionalization, particularly in the development of pharmacologically active molecules. This compound is characterized by its high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Its well-defined chemical properties facilitate precise modifications, making it a versatile building block in medicinal chemistry and drug discovery.
1-(2-Fluoro-6-nitrophenyl)piperazine structure
1234010-04-8 structure
Product Name:1-(2-Fluoro-6-nitrophenyl)piperazine
CAS No:1234010-04-8
MF:C10H12FN3O2
MW:225.22
CID:2604962
PubChem ID:53255798
Update Time:2025-11-02

1-(2-Fluoro-6-nitrophenyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Fluoro-6-nitrophenyl)piperazine
    • (2-Fluoro-6-nitrophenyl)piperazine
    • GS1320
    • CID 53255798
    • 1-(2-Fluoro-6-nitrophenyl)piperazine,97%
    • Piperazine, 1-(2-fluoro-6-nitrophenyl)-
    • AKOS026808577
    • 1234010-04-8
    • SCHEMBL4782133
    • EN300-1843260
    • V10282
    • MDL: MFCD28399078
    • Inchi: 1S/C10H12FN3O2/c11-8-2-1-3-9(14(15)16)10(8)13-6-4-12-5-7-13/h1-3,12H,4-7H2
    • InChI Key: LADNFZMLQLQVFU-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1N1CCNCC1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 225.09135480g/mol
  • Monoisotopic Mass: 225.09135480g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 253
  • 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: 61.1
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.295±0.06 g/cm3(Predicted)
  • Boiling Point: 365.0±42.0 °C(Predicted)
  • pka: 8.56±0.10(Predicted)

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Additional information on 1-(2-Fluoro-6-nitrophenyl)piperazine

Comprehensive Overview of 1-(2-Fluoro-6-nitrophenyl)piperazine (CAS No. 1234010-04-8): Properties, Applications, and Industry Insights

1-(2-Fluoro-6-nitrophenyl)piperazine, identified by its CAS number 1234010-04-8, is a specialized chemical compound gaining attention in pharmaceutical and agrochemical research. This fluorinated nitrophenyl derivative exhibits unique structural features, making it a valuable intermediate in synthetic chemistry. The compound's molecular framework combines a piperazine ring with a fluoronitrophenyl group, creating distinct electronic properties that influence its reactivity and potential applications.

Recent scientific literature highlights the growing importance of fluorinated aromatic compounds in drug discovery, with 1-(2-Fluoro-6-nitrophenyl)piperazine serving as a key building block for bioactive molecules. Researchers particularly value its balanced lipophilicity and electronic effects, which can enhance membrane permeability in target molecules. The nitro group offers versatile transformation opportunities, while the fluoro substituent provides metabolic stability—a crucial factor in modern medicinal chemistry.

From a synthetic perspective, CAS 1234010-04-8 demonstrates remarkable stability under various reaction conditions, making it suitable for multi-step synthetic routes. Analytical characterization typically involves advanced techniques like HPLC-MS and NMR spectroscopy, with the fluorine atom producing distinctive splitting patterns in 19F NMR spectra. These analytical fingerprints aid in quality control during pharmaceutical intermediate production.

The compound's thermal properties have become a recent research focus, particularly regarding its behavior in green chemistry applications. Studies suggest that 1-(2-Fluoro-6-nitrophenyl)piperazine derivatives may participate in energy-efficient catalytic processes, aligning with industry demands for sustainable synthesis methods. This aspect addresses frequent search queries about "eco-friendly fluorochemical synthesis" and "green pharmaceutical intermediates."

In material science applications, the electron-withdrawing characteristics of both the nitro and fluoro groups make this compound interesting for developing specialty polymers. Researchers are exploring its incorporation into high-performance polymers for electronic applications, responding to market needs for advanced materials in flexible electronics and organic semiconductors.

Quality specifications for 1234010-04-8 typically require ≥98% purity, with strict control over residual solvents and heavy metals when intended for pharmaceutical use. The compound's shelf life and storage conditions—often under inert atmosphere at low temperatures—are common topics in technical inquiries, reflecting user concerns about compound stability and handling protocols.

Recent patent analyses reveal increasing applications of piperazine-nitrophenyl hybrids in developing kinase inhibitors and GPCR modulators. This pharmacological relevance connects to trending searches about "targeted cancer therapies" and "precision medicine compounds." The structural flexibility of 1-(2-Fluoro-6-nitrophenyl)piperazine allows diverse modifications to optimize drug-target interactions.

From a regulatory standpoint, proper documentation for CAS 1234010-04-8 includes comprehensive safety data sheets detailing appropriate handling procedures. While not classified as hazardous under standard conditions, prudent laboratory practices recommend using personal protective equipment during manipulation—a point frequently emphasized in safety-conscious research environments.

The global market for fluorinated piperazine derivatives shows steady growth, driven by demand from both pharmaceutical and specialty chemical sectors. Industry reports suggest particular interest from Asian manufacturers specializing in advanced intermediates, correlating with search trends about "fluorochemical suppliers" and "custom synthesis services."

Future research directions may explore the compound's potential in PET radiopharmaceuticals, leveraging the fluorine atom for 18F labeling. This application aligns with growing interest in diagnostic imaging agents, answering frequent queries about "molecular imaging precursors." The nitro group's reducibility further enables diverse chemical transformations for tracer development.

Analytical method development for 1-(2-Fluoro-6-nitrophenyl)piperazine remains an active area, with recent publications describing improved UPLC methods for impurity profiling. These advancements address quality control challenges in Good Manufacturing Practice (GMP) environments, reflecting industry priorities for rigorous analytical validation.

In conclusion, 1234010-04-8 represents a versatile chemical entity with expanding applications across multiple scientific disciplines. Its unique combination of fluorine substitution and nitro functionality on a piperazine scaffold offers numerous opportunities for innovation in drug discovery, materials science, and specialty chemical development. The compound's growing prominence underscores the importance of fluorinated building blocks in modern chemical research and industrial applications.

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