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CS-W001157 4
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2,2,2-Trifluoro-1-(m-tolyl)ethanone

  • CAS No. 1736-06-7

  • Cat. No. CS-0153233
  • Purity≥95%
  • MDL No.MFCD00461893

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

2,2,2-Trifluoro-1-(m-tolyl)ethanone|CS-0153233

Structure of 1736-06-7

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General Information

  • CAS No. 1736-06-7
  • Cat. No. CS-0153233
  • Purity ≥95%
  • MDL No. MFCD00461893
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O
  • Molecular Weight 188.15
  • Synonym(s) 3'-Methyl-2,2,2-trifluoroacetophenone
  • SMILES CC1=CC(=CC=C1)C(=O)C(F)(F)F

Description

This trifluoromethyl ketone features a para-methyl-substituted aryl group, delivering enhanced lipophilicity and metabolic stability. The electron-withdrawing trifluoromethyl moiety strengthens carbonyl electrophilicity, enabling efficient nucleophilic addition in synthetic transformations. Bench-stable and moisture-tolerant, it serves as a key building block for pharmaceutical intermediates and functional materials.

Application

2,2,2-Trifluoro-1-(m-tolyl)ethanone serves as a versatile fluorinated ketone building block in synthetic organic chemistry. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable for medicinal chemistry applications. The compound facilitates efficient Friedel–Crafts acylation and acts as a key intermediate in the synthesis of fluorinated heterocycles and bioactive scaffolds. Bench-stable and readily purified by recrystallization, it offers reliable functionality in standard reaction workflows.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.74002
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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