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CS-W001157 4
Total: USD 88.00

4-Chloro-2-fluoro-1-nitrobenzene

  • CAS No. 700-37-8

  • Cat. No. CS-W002202
  • Purity≥98%
  • MDL No.MFCD00042211

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

4-Chloro-2-fluoro-1-nitrobenzene|CS-W002202

Structure of 700-37-8

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General Information

  • CAS No. 700-37-8
  • Cat. No. CS-W002202
  • Purity ≥98%
  • MDL No. MFCD00042211
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFNO₂
  • Molecular Weight 175.55
  • Synonym(s) 1-CHLORO-3-FLUORO-4-NITROBENZENE
  • SMILES Clc1ccc(c(c1)F)[N+](=O)[O-]

Description

4-Chloro-2-fluoro-1-nitrobenzene features a trifunctional aromatic core with complementary reactivity for downstream synthesis. The electron-deficient ring facilitates nucleophilic substitution, while the ortho-fluoro and para-chloro groups enable selective functionalization. This bench-stable compound integrates efficiently into complex molecular architectures under standard conditions.

Application

4-Chloro-2-fluoro-1-nitrobenzene serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted heterocycles and pharmaceutical intermediates. Its orthogonal halogenation pattern facilitates selective metal-catalyzed cross-coupling reactions, while the nitro group supports sequential transformations including reduction to aniline derivatives. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it well-suited for scalable synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Sasson, Yoel; Negussie, Samuel; Royz, Michael; Mushkin, Noam Chemical Communications, 1996 , # 3 p. 297 - 298
  • Route2
    • null|null
      611-06-3
    • ~13%
    • In-stock
      2,4-Difluoro-1-nitrobenzene|CS-W020034
      446-35-5
    • In-stock
      4-Chloro-2-fluoro-1-nitrobenzene|CS-W002202
      700-37-8

    References

    • US2004/24238 A1, ; Page 5 ;
  • Route3
    • null|null
      611-06-3
    • ~7%
    • In-stock
      4-Chloro-2-fluoro-1-nitrobenzene|CS-W002202
      700-37-8

    References

    • Laurain, Nathalie; Zard, Samir Patent: US2004/24238 A1, 2004 ; Location in patent: Page 5 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.3873
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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