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1-(3,5-Bis(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone

  • CAS No. 130336-17-3

  • Cat. No. CS-0162650
  • Molecule weight310.12
  • Purity≥97%
  • MDL No.None

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

1-(3,5-Bis(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone|CS-0162650

Structure of 130336-17-3

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General Information

  • CAS No. 130336-17-3
  • Cat. No. CS-0162650
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₃F₉O
  • Molecular Weight 310.12
  • Synonym(s) 1-[3,5-Bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
  • SMILES FC(F)(F)C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O

Description

This trifluoromethyl-substituted aryl ketone features a highly electron-deficient aromatic ring paired with a stable trifluoromethyl ketone moiety, enabling direct incorporation into cross-coupling reactions. The robust C–F bonds confer exceptional thermal and oxidative stability under standard conditions.

Application

1-(3,5-Bis(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone serves as a robust electrophilic acylating agent in synthetic organic chemistry, enabling efficient formation of ketones and heterocycles under mild conditions. Its high stability and functional group tolerance facilitate straightforward purification and scalability, making it well-suited for benchtop applications in medicinal chemistry and process development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.4692
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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