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CS-W001157 4
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2-Ethoxy-4-fluoro-1-nitrobenzene

  • CAS No. 28987-44-2

  • Cat. No. CS-0212162
  • Purity≥98%
  • MDL No.MFCD04115630

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

2-Ethoxy-4-fluoro-1-nitrobenzene|CS-0212162

Structure of 28987-44-2

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General Information

  • CAS No. 28987-44-2
  • Cat. No. CS-0212162
  • Purity ≥98%
  • MDL No. MFCD04115630
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈FNO₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES CCOC1=C(C=CC(=C1)F)[N+](=O)[O-]

Description

2-Ethoxy-4-fluoro-1-nitrobenzene features a nitro group at the para position relative to the ethoxy substituent, creating a strongly electron-deficient aromatic system. This configuration enables direct coupling in cross-coupling reactions without pre-functionalization. The fluorine atom facilitates nucleophilic aromatic substitution under mild conditions, while the ethoxy group enhances solubility and stability. This compound serves as a key intermediate in the synthesis of advanced pharmaceuticals and agrochemicals.

Application

2-Ethoxy-4-fluoro-1-nitrobenzene serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of functionalized aromatic scaffolds. The ortho-ethoxy and meta-fluoro groups facilitate selective nucleophilic aromatic substitution and palladium-catalyzed coupling reactions, while the nitro group provides a handle for reduction and subsequent derivatization. Its bench-stable nature and compatibility with standard purification methods make it well-suited for multi-step synthesis in medicinal chemistry and agrochemical development.

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-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   52.37
  • LogP   2.1326
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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