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CS-W001157 4
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1-(2-Chlorophenyl)-2,2,2-trifluoroethan-1-one

  • CAS No. 5860-95-7

  • Cat. No. CS-0453993
  • Purity≥96%
  • MDL No.None

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

1-(2-Chlorophenyl)-2,2,2-trifluoroethan-1-one|CS-0453993

Structure of 5860-95-7

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General Information

  • CAS No. 5860-95-7
  • Cat. No. CS-0453993
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClF₃O
  • Molecular Weight 208.56
  • Synonym(s) 2'-Chloro-2,2,2-Trifluoroacetophenone
  • SMILES C1=CC=C(C(=C1)C(=O)C(F)(F)F)Cl

Description

1-(2-Chlorophenyl)-2,2,2-trifluoroethan-1-one features a trifluoromethyl ketone group flanked by an electron-deficient 2-chlorophenyl ring, enabling efficient electrophilic reactivity in C–C bond-forming transformations. This bench-stable compound integrates readily into synthetic sequences requiring strong polarization at the carbonyl center.

Application

1-(2-Chlorophenyl)-2,2,2-trifluoroethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of fluorinated aryl ketones. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the ortho-chloro substituent facilitates downstream functionalization via palladium-catalyzed cross-coupling. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

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   3.085
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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