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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-iodoaniline

  • CAS No. 647025-62-5

  • Cat. No. CS-0133306
  • Molecule weight237.01
  • Purity≥97%
  • MDL No.MFCD18396914

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

4-Fluoro-3-iodoaniline|CS-0133306

Structure of 647025-62-5

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General Information

  • CAS No. 647025-62-5
  • Cat. No. CS-0133306
  • Purity ≥97%
  • MDL No. MFCD18396914
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅FIN
  • Molecular Weight 237.01
  • Synonym(s) Benzenamine,4-fluoro-3-iodo
  • SMILES NC1=CC=C(F)C(I)=C1

Description

4-Fluoro-3-iodoaniline features a strategically positioned fluorine and iodine substituent on the aromatic ring, enabling efficient cross-coupling transformations. The electron-withdrawing fluorine enhances reactivity in palladium-catalyzed reactions, while the iodide serves as a high-affinity coupling handle. This dual-functional scaffold supports rapid diversification in medicinal chemistry and materials synthesis.

Application

4-Fluoro-3-iodoaniline serves as a versatile building block for Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The ortho-iodo group exhibits high reactivity under standard coupling conditions, while the para-fluoro substituent provides synthetic handle for further functionalization. Bench-stable and readily purified by recrystallization, it functions reliably in medicinal chemistry and materials synthesis workflows.

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

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.0125
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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