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(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

  • CAS No. 915095-86-2

  • Cat. No. CS-0006692
  • Molecule weight360.55
  • Purity≥98%
  • MDL No.MFCD22665920

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

(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone|CS-0006692

Structure of 915095-86-2

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General Information

  • CAS No. 915095-86-2
  • Cat. No. CS-0006692
  • Purity ≥98%
  • MDL No. MFCD22665920
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₇ClFIO
  • Molecular Weight 360.55
  • Synonym(s) 2-Chloro-4'-fluoro-5-iodobenzophenone
  • SMILES ClC1=C(C(C2=CC=C(F)C=C2)=O)C=C(I)C=C1

Description

This fluorinated aryl ketone features a (2-chloro-5-iodophenyl) moiety paired with a 4-fluorophenyl group, enabling efficient coupling in cross-coupling reactions. The electron-deficient aromatic system enhances reactivity in palladium-catalyzed transformations, while the iodine handle ensures high functional group tolerance and stability under standard conditions.

Application

(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone serves as a versatile building block in cross-coupling chemistry, enabling efficient Suzuki and Stille reactions due to its orthogonal halogen reactivity. The iodine moiety facilitates palladium-catalyzed coupling with high chemoselectivity, while the chloro and fluoro substituents offer enhanced stability and tuning of electronic properties. Bench-stable and amenable to standard purification methods, it functions reliably in the synthesis of biaryl scaffolds and complex heterocycles relevant to medicinal chemistry and materials science.

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   17.07
  • LogP   4.3147
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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