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CS-W001157 4
Total: USD 88.00

2-Fluoro-1,3-dimethyl-5-nitrobenzene

  • CAS No. 1736-85-2

  • Cat. No. CS-W005736
  • Purity≥98%
  • MDL No.None

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

2-Fluoro-1,3-dimethyl-5-nitrobenzene|CS-W005736

Structure of 1736-85-2

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General Information

  • CAS No. 1736-85-2
  • Cat. No. CS-W005736
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈FNO₂
  • Molecular Weight 169.15
  • Synonym(s) 3,5-Dimethyl-4-fluoronitrobenzene
  • SMILES O=[N+]([O-])C1=CC(C)=C(C(C)=C1)F

Description

2-Fluoro-1,3-dimethyl-5-nitrobenzene features a fluorine atom and a nitro group positioned meta to each other on a benzene ring, with methyl groups at the 1- and 3-positions. This electron-deficient aromatic scaffold enables direct coupling in cross-coupling reactions and serves as a building block for functionalized pharmaceutical intermediates.

Application

2-Fluoro-1,3-dimethyl-5-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling regioselective functionalization via electrophilic substitution. The fluorine and nitro groups provide orthogonal reactivity for late-stage diversification, while the methyl substituents enhance metabolic stability and modulate electronic properties. Bench-stable and compatible with standard coupling reactions, it facilitates efficient access to complex heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1
    • null|null
      156740-78-2
    • ~16%
    • In-stock
      2-Fluoro-1,3-dimethyl-5-nitrobenzene|CS-W005736
      1736-85-2

    References

    • Chemical Communications, , vol. 49, # 21 p. 2151 - 2153
  • Route2

    References

    • Chemical Communications, , vol. 49, # 21 p. 2151 - 2153
  • Route3
    • null|null
      443-88-9
    • ~%
    • In-stock
      2-Fluoro-1,3-dimethyl-5-nitrobenzene|CS-W005736
      1736-85-2

    References

    • Journal of the Chemical Society, , p. 5554 - 5556

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   2.35074
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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