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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-iodoanisole

  • CAS No. 1028263-94-6

  • Cat. No. CS-0195314
  • Molecule weight252.02
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-3-iodoanisole|CS-0195314

Structure of 1028263-94-6

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General Information

  • CAS No. 1028263-94-6
  • Cat. No. CS-0195314
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FIO
  • Molecular Weight 252.02
  • Synonym(s) 1-fluoro-2-iodo-4-methoxybenzene
  • SMILES COC1=CC(=C(C=C1)F)I

Description

4-Fluoro-3-iodoanisole features a strategically positioned iodine atom adjacent to a methoxy group, enabling efficient cross-coupling reactions. The fluorine substituent enhances metabolic stability and modulates electronic properties. This ortho-haloaryl scaffold serves as a key building block in pharmaceutical synthesis, particularly for constructing biologically active heterocycles under palladium catalysis.

Application

4-Fluoro-3-iodoanisole serves as a versatile building block in cross-coupling chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. The ortho-iodo group facilitates reliable palladium-catalyzed coupling reactions, while the para-fluoro substituent offers enhanced metabolic stability and strategic positioning for further functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for iterative synthesis in medicinal chemistry and materials science applications.

Safety Information

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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-P330-P362+P364-P405-P501

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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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