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CS-W001157 4
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3-Fluoro-2-nitrotoluene

  • CAS No. 3013-27-2

  • Cat. No. CS-W007827
  • Purity≥98%
  • MDL No.MFCD08458093

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

3-Fluoro-2-nitrotoluene|CS-W007827

Structure of 3013-27-2

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General Information

  • CAS No. 3013-27-2
  • Cat. No. CS-W007827
  • Purity ≥98%
  • MDL No. MFCD08458093
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂
  • Molecular Weight 155.13
  • Synonym(s) 2-Fluoro-6-methylnitrobenzene, 1-Fluoro-3-methyl-2-nitrobenzene
  • SMILES O=[N+](C1=C(C)C=CC=C1F)[O-]

Description

3-Fluoro-2-nitrotoluene features a fluorine atom at the meta position relative to a nitro group on a toluene scaffold, creating a highly electron-deficient aromatic system. This combination enables direct functionalization in cross-coupling reactions and serves as a key intermediate for pharmaceuticals and agrochemicals requiring orthogonal reactivity. The molecule exhibits enhanced stability under standard bench conditions and tolerates a range of reaction environments.

Application

3-Fluoro-2-nitrotoluene serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the aromatic ring due to the combined electron-withdrawing effects of the nitro and fluorine substituents. Its reactivity facilitates nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions, with the fluorine atom acting as a traceless directing group. The compound exhibits bench stability and is compatible with standard purification methods, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 127, # 8 p. 2376 - 2377
  • Route2
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    • In-stock
      3-Fluoro-2-nitrotoluene|CS-W007827
      3013-27-2

    References

    • Chemische Berichte, , vol. 62, p. 1804

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   43.14
  • LogP   2.04232
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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