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CS-W001157 4
Total: USD 88.00

1-4-(Trifluoromethylphenyl)pentan-1-one

  • CAS No. 42916-66-5

  • Cat. No. CS-0210430
  • Purity≥98%
  • MDL No.MFCD09031805

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

1-4-(Trifluoromethylphenyl)pentan-1-one|CS-0210430

Structure of 42916-66-5

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General Information

  • CAS No. 42916-66-5
  • Cat. No. CS-0210430
  • Purity ≥98%
  • MDL No. MFCD09031805
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃F₃O
  • Molecular Weight 230.23
  • Synonym(s) 1-(4-Trifluoromethyl-phenyl)-pentan-1-one
  • SMILES CCCCC(=O)C1=CC=C(C=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu Journal of the American Chemical Society, 2004 , vol. 126, # 25 p. 7782 - 7783
  • Route2

    References

    • Meltzer, Peter C.; Butler, David; Deschamps, Jeffrey R.; Madras, Bertha K. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1420 - 1432
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    • 1-4-(Trifluoromethylphenyl)pentan-1-one|CS-0210430
      42916-66-5

    References

    • Wipf, Peter; Aslan, Diana C.; Southwick, Eileen C.; Lazo, John S. Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 3 p. 313 - 317

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.0783
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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