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CS-W001157 4
Total: USD 88.00

2,5-Difluorobenzonitrile

  • CAS No. 64248-64-2

  • Cat. No. CS-W016483
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD00001777

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

2,5-Difluorobenzonitrile|CS-W016483

Structure of 64248-64-2

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General Information

  • CAS No. 64248-64-2
  • Cat. No. CS-W016483
  • Purity ≥97%
  • MDL No. MFCD00001777
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₂N
  • Molecular Weight None
  • Synonym(s) 2,5-difluoro nitrile
  • SMILES FC1=CC(C#N)=C(F)C=C1

Description

2,5-Difluorobenzonitrile features a fluorinated aromatic core with nitrile functionality, offering enhanced electronic withdrawal and metabolic stability. This bench-stable compound integrates readily into pharmaceutical intermediates and agrochemical scaffolds, where electron-deficient aryl groups enable selective coupling reactions under mild conditions.

Application

2,5-Difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct introduction of fluorinated aryl motifs with orthogonal functional handles. The nitrile group facilitates downstream transformations including amidation, reduction to primary amine, or cyclization into heterocycles. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions support efficient late-stage functionalization in complex molecule assembly.

Synthesis

  • Route1

    References

    • Suzuki, Hiroshi; Yazawa, Naoto; Yoshida, Yasuo; Furusawa, Osamu; Kimura, Yoshikazu Bulletin of the Chemical Society of Japan, 1990 , vol. 63, # 7 p. 2010 - 2017

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-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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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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