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CS-W001157 4
Total: USD 88.00

1-[3-(Trifluoromethyl)phenyl]-1-ethanone

  • CAS No. 349-76-8

  • Cat. No. CS-W019972
  • Purity≥96%
  • MDL No.MFCD00000391

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

1-[3-(Trifluoromethyl)phenyl]-1-ethanone|CS-W019972

Structure of 349-76-8

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General Information

  • CAS No. 349-76-8
  • Cat. No. CS-W019972
  • Purity ≥96%
  • MDL No. MFCD00000391
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O
  • Molecular Weight 188.15
  • Synonym(s) 1-[5-(Trifluoromethyl)phenyl]ethanone; 3-Trifluoromethyl-1-acetylbenzene; m-(Trifluoromethyl)acetophenone
  • SMILES CC(C1=CC=CC(C(F)(F)F)=C1)=O

Description

Used in perfumery to give power, lift, and freshness. For use in toothpaste, cough drops, mouthwash, ice cream, chewing gum, tobacco, medical plaster, tonic, and shampoos. Because of its cooling action, it is to be found in a wide range of medicines treating sore throats and mouth irritations. It is also used in treatments for minor aches and sprains, and in nasal decongestants. It is found in some oral hygiene products to combat bad breath. Of course, it is present in a number of chewing gums. It was first added to cigarettes in the 1920s and 1930s (e.g. Spud and Kool brands) for both its flavor and also to reduce irritation, especially to the throat.

Application

1-[3-(Trifluoromethyl)phenyl]-1-ethanone serves as a valuable building block in medicinal chemistry, enabling the synthesis of biologically active aryl ketones. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the ketone functionality offers direct access to secondary alcohols, enol ethers, and heterocycles via standard transformations. The compound exhibits good bench stability and is compatible with common functional group manipulations, facilitating efficient route design 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 : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.908
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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