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CS-W001157 4
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5-Chloro-2-fluorobenzonitrile

  • CAS No. 57381-34-7

  • Cat. No. CS-W008158
  • Purity≥98%
  • MDL No.MFCD01631434

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

5-Chloro-2-fluorobenzonitrile|CS-W008158

Structure of 57381-34-7

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General Information

  • CAS No. 57381-34-7
  • Cat. No. CS-W008158
  • Purity ≥98%
  • MDL No. MFCD01631434
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClFN
  • Molecular Weight 155.56
  • Synonym(s) Chlorofluorobenzonitrile6
  • SMILES C1=C(Cl)C=CC(=C1C#N)F

Description

5-Chloro-2-fluorobenzonitrile is a fluorinated aromatic nitrile featuring complementary halogen substituents at the 5- and 2-positions. This electron-deficient aryl building block enables direct coupling in transition-metal-catalyzed reactions, offering enhanced reactivity and selectivity in pharmaceutical and agrochemical synthesis.

Application

5-Chloro-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via nucleophilic aromatic substitution. Its ortho-fluoro and meta-chloro substituents provide complementary reactivity for selective functionalization, while the nitrile group offers high stability and compatibility with diverse reaction conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up applications in multi-step syntheses.

Synthesis

  • Route1

    References

    • Clark, James H.; Nightingale, David J. Journal of Fluorine Chemistry, 1996 , vol. 78, # 1 p. 91 - 93

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

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.35078
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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