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CS-W001157 4
Total: USD 88.00

2,2,2-Trifluoro-1-(p-tolyl)ethanone

  • CAS No. 394-59-2

  • Cat. No. CS-0077582
  • Purity≥98%
  • MDL No.MFCD00052338

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

2,2,2-Trifluoro-1-(p-tolyl)ethanone|CS-0077582

Structure of 394-59-2

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General Information

  • CAS No. 394-59-2
  • Cat. No. CS-0077582
  • Purity ≥98%
  • MDL No. MFCD00052338
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O
  • Molecular Weight 188.15
  • Synonym(s) 4'-Methyl-2,2,2-trifluoroacetophenone
  • SMILES O=C(C(F)(F)F)C1=CC=C(C)C=C1

Description

This trifluoromethyl aryl ketone features a sterically hindered, electron-deficient carbonyl group flanked by a para-tolyl substituent. The trifluoromethyl moiety enhances metabolic stability and lipophilicity, making it ideal for synthetic intermediates in pharmaceutical development.

Application

2,2,2-Trifluoro-1-(p-tolyl)ethanone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated aromatic systems. Its trifluoromethyl ketone functionality exhibits high electrophilicity and stability under standard reaction conditions, facilitating nucleophilic additions, enolization, and subsequent functionalization. The p-tolyl group provides steric and electronic modulation, enhancing solubility and compatibility with common coupling protocols. This compound functions reliably in multistep syntheses requiring bench-stable, selectively reactive intermediates for pharmaceutical and agrochemical 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   2.74002
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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