Cas no 147900-49-0 (5-Fluorobenzo[d][1,3]dioxole)

5-Fluorobenzo[d][1,3]dioxole is a fluorinated aromatic compound featuring a 1,3-dioxole ring fused to a benzene core. Its structure, incorporating both fluorine and the dioxole moiety, makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The fluorine substitution enhances metabolic stability and influences electronic properties, while the dioxole ring contributes to steric and electronic modulation. This compound is commonly employed in cross-coupling reactions and as a building block for bioactive molecules. Its high purity and well-defined reactivity profile ensure consistent performance in research and industrial applications. Proper handling under inert conditions is recommended due to potential sensitivity to air or moisture.
5-Fluorobenzo[d][1,3]dioxole structure
5-Fluorobenzo[d][1,3]dioxole structure
Product Name:5-Fluorobenzo[d][1,3]dioxole
CAS No:147900-49-0
MF:C7H5FO2
MW:140.111805677414
MDL:MFCD20275269
CID:4606836
PubChem ID:22096539
Update Time:2025-10-27

5-Fluorobenzo[d][1,3]dioxole Chemical and Physical Properties

Names and Identifiers

    • 5-fluorobenzo[d][1,3]dioxole
    • SY059734
    • AC4347
    • 147900-49-0
    • SCHEMBL789738
    • 5-fluoro-2H-1,3-benzodioxole
    • AKOS030621295
    • 5-fluoro-1,3-benzodioxole
    • MFCD20275269
    • CS-12489
    • EN300-392804
    • DB-213137
    • 5-fluoro-1,3-dioxaindane
    • 5-Fluorobenzo[d][1,3]dioxole
    • MDL: MFCD20275269
    • Inchi: 1S/C7H5FO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
    • InChI Key: GCPUMFAGCOLKAK-UHFFFAOYSA-N
    • SMILES: FC1C=CC2=C(C=1)OCO2

Computed Properties

  • Exact Mass: 140.02735756g/mol
  • Monoisotopic Mass: 140.02735756g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 129
  • 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: 18.5

5-Fluorobenzo[d][1,3]dioxole Pricemore >>

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Additional information on 5-Fluorobenzo[d][1,3]dioxole

Comprehensive Overview of 5-Fluorobenzo[d][1,3]dioxole (CAS No. 147900-49-0): Properties, Applications, and Industry Insights

5-Fluorobenzo[d][1,3]dioxole (CAS No. 147900-49-0) is a fluorinated aromatic compound with a benzodioxole backbone, widely recognized for its unique chemical properties and versatile applications in pharmaceuticals, agrochemicals, and material science. The presence of a fluorine atom at the 5-position enhances its reactivity, making it a valuable intermediate in synthetic chemistry. Researchers and industries increasingly focus on fluorinated organic compounds due to their metabolic stability and bioactivity, aligning with trends in drug discovery and sustainable chemistry.

The compound’s molecular structure, characterized by a fused 1,3-dioxole ring, contributes to its stability under various reaction conditions. This feature is critical for designing high-performance materials and active pharmaceutical ingredients (APIs). Recent studies highlight its role in developing selective enzyme inhibitors and ligands for catalysis, addressing growing demand for precision therapeutics. Searches for "fluorinated heterocycles" and "benzodioxole derivatives" have surged, reflecting interest in eco-friendly synthesis routes and green chemistry applications.

In agrochemicals, 5-Fluorobenzo[d][1,3]dioxole serves as a precursor for crop protection agents, leveraging fluorine’s ability to enhance bioavailability. With the rise of "sustainable pesticides" as a key search term, this compound’s potential in reducing environmental toxicity is under exploration. Its low persistence in soil aligns with global regulations like the EU’s Farm-to-Fork strategy, making it a candidate for next-generation formulations.

From a technical standpoint, the synthesis of CAS No. 147900-49-0 often involves palladium-catalyzed coupling or electrophilic fluorination, methods frequently queried in academic databases. Innovations in continuous flow chemistry have improved yield and reduced waste, resonating with industries prioritizing circular economy principles. Analytical techniques like HPLC-MS and NMR are essential for quality control, as purity thresholds exceed 98% in commercial batches.

Market analysts note rising procurement of 5-Fluorobenzo[d][1,3]dioxole by contract research organizations (CROs) and specialty chemical suppliers. Queries such as "where to buy fluorobenzodioxole" and "147900-49-0 suppliers" underscore its commercial relevance. Regulatory compliance (e.g., REACH, FDA) remains a focal point, with documentation on safety data sheets (SDS) being critical for end-users.

Future directions include exploring its utility in organic electronics, where fluorinated aromatics improve charge transport in OLEDs and photovoltaic materials. As sustainability drives innovation, 5-Fluorobenzo[d][1,3]dioxole exemplifies how targeted molecular design can meet both industrial and environmental goals.

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