Cas no 946664-06-8 (4-(4-Chlorophenoxy)-3-fluoroaniline)

4-(4-Chlorophenoxy)-3-fluoroaniline is a fluorinated aniline derivative featuring a chlorophenoxy substituent, which enhances its utility as an intermediate in organic synthesis. The presence of both chloro and fluoro groups imparts unique electronic and steric properties, making it valuable for constructing complex molecules in pharmaceutical and agrochemical applications. Its well-defined structure allows for precise functionalization, enabling the development of targeted compounds with improved biological activity. The compound’s stability under standard conditions ensures reliable handling and storage. Its compatibility with various coupling reactions further broadens its applicability in fine chemical synthesis. This intermediate is particularly useful in the preparation of advanced heterocyclic systems and specialty chemicals.
4-(4-Chlorophenoxy)-3-fluoroaniline structure
946664-06-8 structure
Product Name:4-(4-Chlorophenoxy)-3-fluoroaniline
CAS No:946664-06-8
MF:C12H9ClFNO
MW:237.657365560532
CID:1001155
PubChem ID:26190202
Update Time:2025-06-13

4-(4-Chlorophenoxy)-3-fluoroaniline Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Chlorophenoxy)-3-fluoroaniline
    • BB 0254013
    • AKOS009260586
    • DTXSID00649872
    • 946664-06-8
    • FT-0647356
    • MDL: MFCD08687429
    • Inchi: 1S/C12H9ClFNO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
    • InChI Key: QUDNGESABWWZII-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)OC1C=CC(=CC=1F)N

Computed Properties

  • Exact Mass: 237.0356698g/mol
  • Monoisotopic Mass: 237.0356698g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 221
  • 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: 3.5
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • Density: 1.331±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (6.9E-3 g/L) (25 oC),

4-(4-Chlorophenoxy)-3-fluoroaniline Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

4-(4-Chlorophenoxy)-3-fluoroaniline Pricemore >>

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Additional information on 4-(4-Chlorophenoxy)-3-fluoroaniline

Comprehensive Overview of 4-(4-Chlorophenoxy)-3-fluoroaniline (CAS No. 946664-06-8): Properties, Applications, and Industry Insights

The chemical compound 4-(4-Chlorophenoxy)-3-fluoroaniline (CAS No. 946664-06-8) is a specialized aromatic amine derivative that has garnered significant attention in pharmaceutical and agrochemical research. Characterized by its unique molecular structure—combining a chlorophenoxy moiety with a fluoroaniline core—this compound exhibits remarkable versatility in synthetic applications. Its halogen-substituted aromatic system contributes to enhanced stability and reactivity, making it a valuable intermediate in the development of advanced materials and bioactive molecules.

In recent years, the demand for fluorinated anilines like 4-(4-Chlorophenoxy)-3-fluoroaniline has surged due to their critical role in designing next-generation pharmaceuticals. Researchers highlight its potential in modulating drug metabolism and improving bioavailability, particularly in central nervous system (CNS) therapeutics and anticancer agents. The compound's electron-withdrawing groups (chloro and fluoro substituents) enable precise tuning of electronic properties, a feature highly sought after in medicinal chemistry and catalyst design.

From an industrial perspective, CAS 946664-06-8 is frequently discussed in contexts such as green chemistry innovations and sustainable synthesis. With growing environmental concerns, manufacturers are exploring eco-friendly routes to produce such intermediates using catalytic C-O coupling or microwave-assisted reactions. These methods align with global trends toward reducing organic solvent waste and energy consumption—a topic dominating searches like "green synthesis of halogenated anilines" or "scalable fluoroaromatic production."

The compound's physicochemical properties—including a moderate lipophilicity (LogP ~3.2) and thermal stability up to 200°C—make it suitable for diverse formulations. Analytical techniques such as HPLC purity testing and LC-MS characterization are essential for quality control, addressing common user queries like "how to analyze 4-(4-Chlorophenoxy)-3-fluoroaniline impurities." Regulatory compliance databases (e.g., REACH, FDA) often reference this compound under its IUPAC name or CAS registry, emphasizing proper handling protocols.

Emerging applications of 4-(4-Chlorophenoxy)-3-fluoroaniline extend to organic electronics, where its conjugated π-system aids in developing OLED materials and charge-transport layers. This intersects with booming interest in "fluorophores for bioimaging" and "high-performance semiconductor additives." Patent analyses reveal its use in photovoltaic cell enhancers, further driving R&D investment.

To address frequent technical questions: The compound typically appears as a white to off-white crystalline powder with solubility in polar aprotic solvents (DMF, DMSO). Storage recommendations emphasize protection from UV degradation and moisture, while safety data sheets (SDS) detail standard precautions for amine-containing compounds. These details respond to high-volume searches such as "stability of fluoroaniline derivatives" and "safe handling of chlorophenoxy compounds."

In conclusion, 4-(4-Chlorophenoxy)-3-fluoroaniline (CAS No. 946664-06-8) represents a multifaceted building block at the intersection of cutting-edge chemistry and industrial innovation. Its evolving applications across life sciences and material engineering ensure its relevance in solving contemporary challenges—from drug discovery bottlenecks to renewable energy technologies.

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