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CS-W001157 4
Total: USD 88.00

1-Bromo-2-fluoro-4-methylbenzene

  • CAS No. 452-74-4

  • Cat. No. CS-W008820
  • Purity≥98%
  • MDL No.MFCD00040940

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

1-Bromo-2-fluoro-4-methylbenzene|CS-W008820

Structure of 452-74-4

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General Information

  • CAS No. 452-74-4
  • Cat. No. CS-W008820
  • Purity ≥98%
  • MDL No. MFCD00040940
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrF
  • Molecular Weight 189.03
  • Synonym(s) 4-Bromo-3-fluorotoluene
  • SMILES FC1=CC(C)=CC=C1Br

Description

1-Bromo-2-fluoro-4-methylbenzene features a strategically positioned bromo and fluoro substituent on a methylated benzene ring, enabling selective cross-coupling reactions. The electron-deficient aryl halide integrates readily into palladium-catalyzed transformations, while the para-methyl group enhances solubility and stabilizes reaction intermediates under standard conditions.

Application

1-Bromo-2-fluoro-4-methylbenzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of substituted biaryls and heterocycles. The bromo group facilitates palladium-catalyzed coupling with minimal interference from the ortho-fluoro and para-methyl substituents, offering excellent functional group tolerance. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Zou, Xinzhuo; Qiu, Zongxing Journal of Fluorine Chemistry, 2002 , vol. 116, # 2 p. 173 - 179
  • Route2

    References

    • Zou, Xinzhuo; Qiu, Zongxing Journal of Fluorine Chemistry, 2002 , vol. 116, # 2 p. 173 - 179
  • Route3
    • 4-Methyl-2-nitro-N-acetylbenzeneamine|CS-W010660
      612-45-3
    • ~%
    • In-stock
      1-Bromo-2-fluoro-4-methylbenzene|CS-W008820
      452-74-4

    References

    • Zou, Xinzhuo; Qiu, Zongxing Journal of Fluorine Chemistry, 2002 , vol. 116, # 2 p. 173 - 179

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.89662
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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