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CS-W001157 4
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1-(2-Fluoro-5-iodophenyl)ethan-1-one

  • CAS No. 1159512-66-9

  • Cat. No. CS-0060839
  • Molecule weight264.04
  • Purity≥97%
  • MDL No.MFCD12026480

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

1-(2-Fluoro-5-iodophenyl)ethan-1-one|CS-0060839

Structure of 1159512-66-9

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General Information

  • CAS No. 1159512-66-9
  • Cat. No. CS-0060839
  • Purity ≥97%
  • MDL No. MFCD12026480
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FIO
  • Molecular Weight 264.04
  • Synonym(s) 2'-Fluoro-5'-iodoacetophenone
  • SMILES CC(=O)C1=C(C=CC(=C1)I)F

Description

1-(2-Fluoro-5-iodophenyl)ethan-1-one features a fluorinated aryl ring paired with a reactive ketone moiety, enabling direct functionalization in cross-coupling and derivatization workflows. The para-iodo substituent facilitates palladium-catalyzed coupling, while the ortho-fluorine enhances electronic modulation and metabolic stability. This bench-stable reagent integrates efficiently into complex molecular architectures.

Application

1-(2-Fluoro-5-iodophenyl)ethan-1-one serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The iodine handle facilitates reliable coupling under standard conditions, while the fluorine substituent enhances metabolic stability in downstream pharmaceutical intermediates. Bench-stable and readily purified by flash chromatography, it functions reliably in iterative synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6329
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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