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Atomfair B-(4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluorophenyl)boronic acid C13H6BF7O3 CAS 685563-69-3

B-(4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluorophenyl)boronic acid (CAS No. 685563-69-3) is a highly specialized boronic acid derivative with the molecular formula C13H6BF7O3. This compound features a unique polyfluorinated aromatic structure, making it a valuable intermediate in advanced organic synthesis and pharmaceutical research. Its IUPAC name is [4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid , indicating its precise chemical configuration. The presence of multiple fluorine atoms enhances its reactivity and stability, particularly in Suzuki-Miyaura cross-coupling reactions. This product is supplied as a high-purity solid, ideal for precision applications in medicinal chemistry, materials science, and agrochemical development. Proper handling under inert conditions is recommended due to its boronic acid functionality.

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Description

B-(4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluorophenyl)boronic acid (CAS No. 685563-69-3) is a highly specialized boronic acid derivative with the molecular formula C13H6BF7O3. This compound features a unique polyfluorinated aromatic structure, making it a valuable intermediate in advanced organic synthesis and pharmaceutical research. Its IUPAC name is [4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid, indicating its precise chemical configuration. The presence of multiple fluorine atoms enhances its reactivity and stability, particularly in Suzuki-Miyaura cross-coupling reactions. This product is supplied as a high-purity solid, ideal for precision applications in medicinal chemistry, materials science, and agrochemical development. Proper handling under inert conditions is recommended due to its boronic acid functionality.

Properties

  • CAS Number: 685563-69-3
  • Complexity: 406
  • IUPAC Name: [4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]boronic acid
  • InChI: InChI=1S/C13H6BF7O3/c15-7-1-5(14(22)23)2-8(16)11(7)13(20,21)24-6-3-9(17)12(19)10(18)4-6/h1-4,22-23H
  • InChI Key: VSTNCNVEYGFOEM-UHFFFAOYSA-N
  • Exact Mass: 354.0298213
  • Molecular Formula: C13H6BF7O3
  • Molecular Weight: 353.99
  • SMILES: B(C1=CC(=C(C(=C1)F)C(OC2=CC(=C(C(=C2)F)F)F)(F)F)F)(O)O
  • Topological: 49.7
  • Monoisotopic Mass: 354.0298213
  • Synonyms: B-[4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid, B-(4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluorophenyl)boronic acid, 685563-69-3, [4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid, 3,5-Difluoro-4-[difluoro(3,4,5-trifluorophenoxy)methyl]phenylboronic acid, SCHEMBL4195441, VSTNCNVEYGFOEM-UHFFFAOYSA-N, DTXSID001140186

Application

This boronic acid derivative is primarily used as a key building block in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl structures for pharmaceutical and materials science applications. Its polyfluorinated aromatic core makes it valuable in the development of PET radiotracers and bioactive molecules targeting fluorinated scaffolds. Researchers also utilize it in the preparation of advanced liquid crystal materials and organic electronic compounds due to its unique electronic properties.

Safety and Hazards

GHS Hazard Statements

  • Not Classified
  • Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

  • Not Classified

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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.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • 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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