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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)anisole

  • CAS No. 402-52-8

  • Cat. No. CS-W003005
  • Purity≥98%
  • MDL No.MFCD03094456

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

4-(Trifluoromethyl)anisole|CS-W003005

Structure of 402-52-8

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General Information

  • CAS No. 402-52-8
  • Cat. No. CS-W003005
  • Purity ≥98%
  • MDL No. MFCD03094456
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇F₃O
  • Molecular Weight 176.14
  • Synonym(s) p-(Trifluoromethyl)anisole
  • SMILES COC1=CC=C(C(F)(F)F)C=C1

Synthesis

  • Route1
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • null|null
      74-88-4
    • ~90%
    • In-stock
      4-(Trifluoromethyl)anisole|CS-W003005
      402-52-8

    References

    • Romines, Karen R.; Freeman, George A.; Schaller, Lee T.; Cowan, Jill R.; Gonzales, Steve S.; Tidwell, Jeffrey H.; Andrews III, Clarence W.; Stammers, David K.; Hazen, Richard J.; Ferris, Robert G.; Short, Steven A.; Chan, Joseph H.; Boone, Lawrence R. Journal of Medicinal Chemistry, 2006 , vol. 49, # 2 p. 727 - 739
  • Route2
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • null|null
      77-78-1
    • ~77%
    • In-stock
      4-(Trifluoromethyl)anisole|CS-W003005
      402-52-8

    References

    • Fujimoto, Tatsuhiko; Kunitomo, Jun; Tomata, Yoshihide; Marui, Shogo; Nishiyama, Keiji; Nakashima, Masato; Yoshikubo, Shin-Ichi; Hirai, Keisuke; Hirozane, Mariko Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 21 p. 6414 - 6416
  • Route3
    • null|null
      98-56-6
    • ~56%
    • In-stock
      4-(Trifluoromethyl)anisole|CS-W003005
      402-52-8

    References

    • Central Glass Company, Limited Patent: US2003/109574 A1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.714
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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