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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-nitrobenzonitrile

  • CAS No. 218632-01-0

  • Cat. No. CS-W019367
  • Purity≥97%
  • MDL No.MFCD04973417

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

3-Fluoro-4-nitrobenzonitrile|CS-W019367

Structure of 218632-01-0

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General Information

  • CAS No. 218632-01-0
  • Cat. No. CS-W019367
  • Purity ≥97%
  • MDL No. MFCD04973417
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃FN₂O₂
  • Molecular Weight 166.11
  • Synonym(s) 4-Cyano-2-fluoronitrobenzene
  • SMILES N#CC1=CC=C([N+]([O-])=O)C(F)=C1

Description

3-Fluoro-4-nitrobenzonitrile features a strategically positioned nitro group and fluorine substituent on the benzene ring, delivering enhanced electron-withdrawing character. This combination enables efficient coupling in cross-coupling reactions and facilitates incorporation into complex molecular architectures. The nitrile moiety provides a handle for further functionalization, while the compound exhibits stability under standard reaction conditions.

Application

3-Fluoro-4-nitrobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct introduction of fluorine, nitro, and nitrile functionalities into complex molecular architectures. Its reactivity profile supports nucleophilic aromatic substitution, palladium-catalyzed coupling reactions, and reduction sequences under standard conditions. The molecule exhibits good bench stability and facilitates efficient purification via crystallization or chromatography, making it suitable for scale-up and multi-step synthesis workflows.

Safety Information

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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   66.93
  • LogP   1.60558
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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