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CS-W001157 4
Total: USD 88.00

3,5-Difluoro-4-formylbenzonitrile

  • CAS No. 467442-15-5

  • Cat. No. CS-W000015
  • Purity≥98%
  • MDL No.MFCD08457661

*For research and further manufacturing use only, not for direct human use.

3,5-Difluoro-4-formylbenzonitrile|CS-W000015

Structure of 467442-15-5

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General Information

  • CAS No. 467442-15-5
  • Cat. No. CS-W000015
  • Purity ≥98%
  • MDL No. MFCD08457661
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃F₂NO
  • Molecular Weight 167.11
  • Synonym(s) None
  • SMILES Fc1cc(cc(F)c1C=O)C#N

Description

3,5-Difluoro-4-formylbenzonitrile features a trifunctional aromatic core with electron-withdrawing fluorine and nitrile groups flanking a formyl handle. This combination enables direct integration into diverse synthetic scaffolds, particularly in medicinal chemistry and materials science, where orthogonal reactivity and enhanced metabolic stability are critical.

Application

3,5-Difluoro-4-formylbenzonitrile serves as a versatile building block for the synthesis of fluorinated aromatic scaffolds. The formyl and nitrile groups enable diverse transformations, including nucleophilic additions, reductive aminations, and heterocycle formation. Its bench-stable nature and orthogonal functional group tolerance facilitate efficient multi-step synthesis in medicinal chemistry and agrochemical development.

Synthesis

  • Route1
    • null|null
      433939-87-8
    • ~99%
    • In-stock
      3,5-Difluoro-4-formylbenzonitrile|CS-W000015
      467442-15-5

    References

    • ASTRAZENECA AB Patent: WO2003/101956 A1, 2003 ; Location in patent: Page 131 ; WO 03/101956 A1
  • Route2
    • In-stock
      3,5-Difluorobenzonitrile|CS-W001071
      64248-63-1
    • null|null
      68-12-2
    • ~79%
    • In-stock
      3,5-Difluoro-4-formylbenzonitrile|CS-W000015
      467442-15-5

    References

    • Olsen, Jacob; Seiler, Paul; Wagner, Bjoern; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Mueller, Klaus; Diederich, Francois Organic and Biomolecular Chemistry, 2004 , vol. 2, # 9 p. 1339 - 1352

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.64898
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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