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CS-W001157 4
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1-(2-Methyl-5-(trifluoromethyl)phenyl)ethan-1-one

  • CAS No. 725743-50-0

  • Cat. No. CS-0466275
  • Purity≥97%
  • MDL No.None

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

1-(2-Methyl-5-(trifluoromethyl)phenyl)ethan-1-one|CS-0466275

Structure of 725743-50-0

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General Information

  • CAS No. 725743-50-0
  • Cat. No. CS-0466275
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O
  • Molecular Weight 202.17
  • Synonym(s) 2'-Methyl-5'-(trifluoromethyl)acetophenone
  • SMILES CC1=C(C=C(C=C1)C(F)(F)F)C(=O)C

Synthesis

  • Route1
    • null|null
      111-34-2
    • In-stock
      2-Bromo-1-methyl-4-(trifluoromethyl)benzene|CS-W010301
      66417-30-9
    • ~%
    • In-stock
      1-(2-Methyl-5-(trifluoromethyl)phenyl)ethan-1-one|CS-0466275
      725743-50-0

    References

    • CYTOKINETICS, INC. Patent: WO2005/5382 A2, 2005 ; Location in patent: Page 55 ;
  • Route2
    • null|null
      261952-08-3
    • null|null
      75-16-1
    • ~%
    • In-stock
      1-(2-Methyl-5-(trifluoromethyl)phenyl)ethan-1-one|CS-0466275
      725743-50-0

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/60870 A1, 2004 ; Location in patent: Page 178-179 ; WO 2004/060870 A1

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.21642
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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