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CS-W001157 4
Total: USD 88.00

1-Fluoro-2-iodo-3-methylbenzene

  • CAS No. 883502-14-5

  • Cat. No. CS-W021322
  • Purity≥96%
  • MDL No.MFCD04973438

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

1-Fluoro-2-iodo-3-methylbenzene|CS-W021322

Structure of 883502-14-5

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General Information

  • CAS No. 883502-14-5
  • Cat. No. CS-W021322
  • Purity ≥96%
  • MDL No. MFCD04973438
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FI
  • Molecular Weight 236.03
  • Synonym(s) 3-Fluoro-2-iodotoluene
  • SMILES CC1=C(I)C(F)=CC=C1

Description

1-Fluoro-2-iodo-3-methylbenzene features a trifluorinated aromatic core with strategically positioned halogens enabling direct cross-coupling reactions. The ortho-fluoro and iodo substituents facilitate palladium-catalyzed transformations, while the methyl group enhances solubility and modulates electronic effects. This compound serves as a key intermediate in the synthesis of functionalized biaryls and pharmaceutical scaffolds under standard conditions.

Application

1-Fluoro-2-iodo-3-methylbenzene serves as a versatile ortho-diaryl building block for palladium-catalyzed cross-coupling reactions. The fluorine and iodine substituents enable sequential functionalization via orthogonal reactivity, with the iodide undergoing efficient coupling under mild conditions. The methyl group provides steric and electronic modulation, enhancing stability and facilitating purification. This compound functions reliably in Suzuki-Miyaura, Stille, and Negishi couplings, offering predictable regiocontrol for complex aromatic scaffold construction.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.73872
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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