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CS-W001157 4
Total: USD 88.00

2-Fluoro-4-nitrobenzonitrile

  • CAS No. 34667-88-4

  • Cat. No. CS-0020166
  • Purity≥98%
  • MDL No.MFCD04038715

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

2-Fluoro-4-nitrobenzonitrile|CS-0020166

Structure of 34667-88-4

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General Information

  • CAS No. 34667-88-4
  • Cat. No. CS-0020166
  • Purity ≥98%
  • MDL No. MFCD04038715
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃FN₂O₂
  • Molecular Weight 166.11
  • Synonym(s) 4-Nitro-2-fluorobenzonitrile
  • SMILES N#CC1=CC=C([N+]([O-])=O)C=C1F

Description

2-Fluoro-4-nitrobenzonitrile features a trifunctional aromatic core with electron-withdrawing fluorine, nitro, and nitrile groups positioned for orthogonal reactivity. This configuration enables selective coupling in cross-coupling protocols and facilitates integration into bioactive scaffolds. The compound exhibits enhanced stability under standard conditions and compatibility with diverse reaction environments.

Application

2-Fluoro-4-nitrobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of heterocyclic scaffolds via nucleophilic aromatic substitution. The ortho-fluorine facilitates selective displacement under mild conditions, while the nitro and cyano groups provide orthogonal reactivity for downstream functionalization. Bench-stable and readily purified by recrystallization, it supports scalable synthesis in multi-step routes.

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

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