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CS-W001157 4
Total: USD 88.00

3,5-Difluorobenzonitrile

  • CAS No. 64248-63-1

  • Cat. No. CS-W001071
  • Purity≥98%
  • MDL No.MFCD00010311

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

3,5-Difluorobenzonitrile|CS-W001071

Structure of 64248-63-1

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General Information

  • CAS No. 64248-63-1
  • Cat. No. CS-W001071
  • Purity ≥98%
  • MDL No. MFCD00010311
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₂N
  • Molecular Weight 139.10
  • Synonym(s) 5-Cyano-1,3-difluorobenzene
  • SMILES N#CC1=CC(F)=CC(F)=C1

Description

3,5-Difluorobenzonitrile features a highly electron-deficient aromatic ring flanked by two fluorine substituents, enabling robust coupling reactions in late-stage functionalization. This bench-stable nitrile serves as a key building block for pharmaceutical intermediates and agrochemicals, offering enhanced metabolic stability and tunable reactivity through directed ortho-metalation.

Synthesis

  • Route1
    • null|null
      461-96-1
    • ~82%
    • In-stock
      3,5-Difluorobenzonitrile|CS-W001071
      64248-63-1

    References

    • Ishii, Genki; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2013 , vol. 69, # 5 p. 1462 - 1469
  • Route2
    • null|null
      461-96-1
    • null|null
      75-86-5
    • ~95%
    • In-stock
      3,5-Difluorobenzonitrile|CS-W001071
      64248-63-1

    References

    • Cristau, Henri-Jean; Ouali, Armelle; Spindler, Jean-Francis; Taillefer, Marc Chemistry - A European Journal, 2005 , vol. 11, # 8 p. 2483 - 2492
  • Route3
    • null|null
      461-96-1
    • null|null
      544-92-3
    • ~77%
    • In-stock
      3,5-Difluorobenzonitrile|CS-W001071
      64248-63-1

    References

    • Kruse; Kaiser; DeWolf Jr.; Frazee; Ross; Wawro; Wise; Flaim; Sawyer; Erickson Journal of Medicinal Chemistry, 1987 , vol. 30, # 3 p. 486 - 494

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.83648
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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