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CS-W001157 4
Total: USD 88.00

5-Fluoro-2-nitrotoluene

  • CAS No. 446-33-3

  • Cat. No. CS-W016255
  • Purity≥96%
  • MDL No.MFCD00007283

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

5-Fluoro-2-nitrotoluene|CS-W016255

Structure of 446-33-3

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General Information

  • CAS No. 446-33-3
  • Cat. No. CS-W016255
  • Purity ≥96%
  • MDL No. MFCD00007283
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂
  • Molecular Weight 155.13
  • Synonym(s) 4-Fluoro-2-methyl-1-nitrobenzene
  • SMILES CC1=CC(F)=CC=C1[N+]([O-])=O

Description

5-Fluoro-2-nitrotoluene features a fluorine atom at the para position relative to a nitro group, creating a highly electron-deficient aromatic system. This strategic substitution enables selective electrophilic functionalization and serves as a key intermediate in pharmaceutical synthesis. The compound exhibits bench-stable handling characteristics and integrates readily into multi-step cascade reactions under standard conditions.

Application

5-Fluoro-2-nitrotoluene serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated aromatic scaffolds through subsequent functionalization. Its ortho-nitro and para-fluoro substituents provide complementary reactivity for selective transformations, including reduction to the corresponding aniline derivative or transition-metal-catalyzed coupling reactions. The molecule exhibits good bench stability and is compatible with standard purification techniques, facilitating integration into multi-step syntheses for pharmaceutical intermediates and agrochemicals.

Synthesis

  • Route1
    • null|null
      352-70-5
    • ~38%
    • In-stock
      5-Fluoro-2-nitrotoluene|CS-W016255
      446-33-3

    References

    • Pfizer Inc Patent: US2010/324043 A1, 2010 ; Location in patent: Page/Page column 26-27 ;
  • Route2

    References

    • Gurjar; Reddy; Murugaiah Synthesis, 2000 , # 12 p. 1659 - 1661
  • Route3

    References

    • Smith, Keith; Musson, Adam; DeBoos, Gareth A. Journal of Organic Chemistry, 1998 , vol. 63, # 23 p. 8448 - 8454

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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