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CS-W001157 4
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4-Fluoro-1-iodo-2-methoxybenzene

  • CAS No. 450-90-8

  • Cat. No. CS-0130922
  • Purity≥98%
  • MDL No.MFCD18396916

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

4-Fluoro-1-iodo-2-methoxybenzene|CS-0130922

Structure of 450-90-8

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General Information

  • CAS No. 450-90-8
  • Cat. No. CS-0130922
  • Purity ≥98%
  • MDL No. MFCD18396916
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FIO
  • Molecular Weight 252.02
  • Synonym(s) 5-Fluoro-2-iodoanisole
  • SMILES COC1=CC(F)=CC=C1I

Description

4-Fluoro-1-iodo-2-methoxybenzene features a strategically positioned iodine atom flanked by electron-withdrawing fluorine and electron-donating methoxy groups, enabling efficient palladium-catalyzed cross-coupling reactions under standard conditions. This aryl iodide exhibits enhanced reactivity and stability for use in synthesizing complex pharmaceutical intermediates and functionalized aromatic scaffolds.

Application

4-Fluoro-1-iodo-2-methoxybenzene serves as a versatile aryl halide building block in palladium-catalyzed cross-coupling reactions. The ortho-fluoro and methoxy substituents enable directed functionalization and enhance regioselectivity in Suzuki-Miyaura and Negishi couplings. Its bench-stable, crystalline form facilitates handling and purification, making it well-suited for iterative synthesis of complex aromatic scaffolds in medicinal chemistry and materials science applications.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.4389
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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