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Atomfair Benzo[d][1,3]dioxole-5-carbonyl fluoride C8H5FO3 CAS 2254447-02-2

Benzo[d][1,3]dioxole-5-carbonyl fluoride (CAS No. 2254447-02-2) is a high-purity fluorinated organic compound with the molecular formula C8H5FO3. This specialized reagent features a benzodioxole scaffold coupled with a reactive carbonyl fluoride moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is characterized by its stability under inert conditions and its utility in nucleophilic acyl substitution reactions. Available in rigorously controlled batches, our product is ideal for researchers requiring precise fluorination reagents. Each shipment includes comprehensive analytical data (NMR, HPLC, MS) to ensure quality and consistency for your experiments.

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Description

Benzo[d][1,3]dioxole-5-carbonyl fluoride (CAS No. 2254447-02-2) is a high-purity fluorinated organic compound with the molecular formula C8H5FO3. This specialized reagent features a benzodioxole scaffold coupled with a reactive carbonyl fluoride moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is characterized by its stability under inert conditions and its utility in nucleophilic acyl substitution reactions. Available in rigorously controlled batches, our product is ideal for researchers requiring precise fluorination reagents. Each shipment includes comprehensive analytical data (NMR, HPLC, MS) to ensure quality and consistency for your experiments.

Properties

  • CAS Number: 2254447-02-2
  • Complexity: 195
  • IUPAC Name: 1,3-benzodioxole-5-carbonyl fluoride
  • InChI: InChI=1S/C8H5FO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
  • InChI Key: QKEALPNOCCMPEP-UHFFFAOYSA-N
  • Exact Mass: 168.02227218
  • Molecular Formula: C8H5FO3
  • Molecular Weight: 168.12
  • SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)F
  • Topological: 35.5
  • Monoisotopic Mass: 168.02227218
  • Synonyms: Benzo[d][1,3]dioxole-5-carbonyl fluoride, 2254447-02-2, starbld0012691, SCHEMBL27780735, MFCD34476156, G64336

Application

Benzo[d][1,3]dioxole-5-carbonyl fluoride serves as a key building block in the synthesis of fluorinated heterocycles and bioactive molecules. Its carbonyl fluoride group enables efficient amide or ester formation, particularly in medicinal chemistry for protease inhibitor development. Researchers also employ it in PET radiotracer synthesis due to the benzodioxole group’s metabolic stability. Applications extend to materials science for creating fluorinated polymers with tailored properties.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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