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CS-W001157 4
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1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone

  • CAS No. 261762-63-4

  • Cat. No. CS-0153731
  • Molecule weight186.61
  • Purity≥98%
  • MDL No.MFCD01631368

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

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone|CS-0153731

Structure of 261762-63-4

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General Information

  • CAS No. 261762-63-4
  • Cat. No. CS-0153731
  • Purity ≥98%
  • MDL No. MFCD01631368
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClFO
  • Molecular Weight 186.61
  • Synonym(s) 2'-Chloro-6'-fluoro-3'-methylacetophenone
  • SMILES CC1=C(C(=C(C=C1)F)C(=O)C)Cl

Description

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone is a fluorinated aryl ketone featuring a chlorinated and methyl-substituted benzene ring. This electron-deficient scaffold integrates readily into synthetic intermediates for pharmaceuticals and agrochemicals, offering enhanced metabolic stability and favorable solubility under standard conditions.

Application

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its trifluoromethyl-substituted aryl core exhibits favorable reactivity in electrophilic substitution and transition-metal-catalyzed coupling reactions. The molecule demonstrates bench stability, ease of purification, and compatibility with diverse functional groups, making it well-suited for iterative synthesis workflows in API development.

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-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   2.99012
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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