Cas no 202925-08-4 (3-Chloro-5-fluoroanisole)

3-Chloro-5-fluoroanisole is a halogenated aromatic ether with the molecular formula C?H?ClFO. This compound is characterized by the presence of both chloro and fluoro substituents on the anisole ring, which enhance its reactivity and utility in organic synthesis. It serves as a versatile intermediate in the pharmaceutical and agrochemical industries, particularly in the development of active ingredients requiring selective functionalization. The electron-withdrawing effects of the halogen groups facilitate further derivatization, such as cross-coupling reactions or nucleophilic substitutions. Its stability under standard conditions and well-defined chemical properties make it a reliable building block for complex molecular architectures.
3-Chloro-5-fluoroanisole structure
3-Chloro-5-fluoroanisole structure
Product Name:3-Chloro-5-fluoroanisole
CAS No:202925-08-4
MF:C7H6ClFO
MW:160.573344707489
MDL:MFCD00070770
CID:252657
PubChem ID:87560052
Update Time:2025-06-09

3-Chloro-5-fluoroanisole Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-3-fluoro-5-methoxybenzene
    • 3-Chloro-5-fluoroanisole
    • Benzene,1-chloro-3-fluoro-5-methoxy-
    • 1-CHLORO-3-FLUORO-5-METHOXY-BENZENE
    • 3-chloro-5-fluoroanisol
    • 3-fluoro-5-methoxy-1-chlorobenzene
    • Benzene, 1-chloro-3-fluoro-5-methoxy-
    • PubChem2661
    • XPZBNEWAZPZUHF-UHFFFAOYSA-N
    • SBB087479
    • AM82872
    • AS02725
    • VZ26667
    • AS04169
    • MDL: MFCD00070770
    • Inchi: 1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
    • InChI Key: XPZBNEWAZPZUHF-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(=C1)OC)F

Computed Properties

  • Exact Mass: 160.00900
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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: 3.3
  • Topological Polar Surface Area: 9.2
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.265?g/mL?at 25?°C(lit.)
  • Melting Point: 18°C
  • Boiling Point: 189?°C(lit.)
  • Flash Point: Fahrenheit: 174.2 ° f < br / > Celsius: 79 ° C < br / >
  • Refractive Index: n20/D 1.511(lit.)
  • PSA: 9.23000
  • LogP: 2.48770
  • Solubility: Not determined

3-Chloro-5-fluoroanisole Security Information

3-Chloro-5-fluoroanisole Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-Chloro-5-fluoroanisole Pricemore >>

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3-Chloro-5-fluoroanisole Production Method

3-Chloro-5-fluoroanisole Related Literature

Additional information on 3-Chloro-5-fluoroanisole

Professional Introduction to 3-Chloro-5-fluoroanisole (CAS No. 202925-08-4)

3-Chloro-5-fluoroanisole, with the chemical formula C?H?ClF, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound serves as a crucial intermediate in the synthesis of various biologically active molecules, making it a subject of extensive study and application. The presence of both chlorine and fluorine substituents in its structure imparts unique electronic and steric properties, which are highly valuable for designing novel chemical entities with enhanced efficacy and selectivity.

The< strong>CAS number 202925-08-4 provides a unique identifier for this compound, ensuring precise classification and tracking in scientific literature and industrial applications. The anisole core, characterized by a methoxy group attached to a benzene ring, is a well-known scaffold in medicinal chemistry due to its versatility in drug design. The introduction of halogen atoms, particularly fluorine, has been widely recognized for its ability to modulate metabolic stability, lipophilicity, and binding affinity to biological targets.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the pharmacokinetic profiles of< strong>3-Chloro-5-fluoroanisole with greater accuracy. Studies have demonstrated that the fluorine atom can enhance the metabolic stability of drug candidates by resisting degradation pathways such as hydrolysis and oxidation. This property is particularly beneficial in the development of long-acting pharmaceuticals that require prolonged circulation in the bloodstream.

In addition to its role as a synthetic intermediate, 3-Chloro-5-fluoroanisole has been explored in the development of novel agrochemicals. The combination of chlorine and fluorine substituents in its structure contributes to its potent activity against various pests and pathogens. Research indicates that these substituents can improve the binding interactions between the compound and biological receptors, leading to more effective pest control solutions.

The< strong>fluorinated aromatic ring present in 3-Chloro-5-fluoroanisole is also of interest in materials science, where it is used to develop advanced polymers and liquid crystals with tailored properties. The electron-withdrawing nature of fluorine atoms can enhance the thermal stability and mechanical strength of these materials, making them suitable for high-performance applications.

One of the most compelling aspects of< strong>3-Chloro-5-fluoroanisole is its utility in constructing complex molecular architectures. Researchers have leveraged its reactivity to develop novel heterocyclic compounds that exhibit interesting biological activities. For instance, derivatives of this compound have shown promise as inhibitors of enzymes involved in cancer metabolism. The precise control over substitution patterns on the anisole ring allows for fine-tuning of pharmacological properties, enabling the design of highly specific therapeutic agents.

The< strong>synthetic pathways involving 3-Chloro-5-fluoroanisole are diverse and well-documented. Common methods include nucleophilic aromatic substitution reactions, cross-coupling reactions, and metal-catalyzed transformations. These synthetic strategies have been optimized to ensure high yields and purity, making the compound readily accessible for further derivatization.

In conclusion, 3-Chloro-5-fluoroanisole (CAS No. 202925-08-4) is a multifaceted compound with significant applications in pharmaceuticals, agrochemicals, and materials science. Its unique structural features make it an invaluable building block for designing innovative chemical entities with enhanced biological activity and material properties. As research continues to uncover new applications for this compound, its importance in advancing scientific discovery is likely to grow even further.

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