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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethyl)benzofuran

  • CAS No. 741290-20-0

  • Cat. No. CS-0455405
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)benzofuran|CS-0455405

Structure of 741290-20-0

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General Information

  • CAS No. 741290-20-0
  • Cat. No. CS-0455405
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O
  • Molecular Weight 186.13
  • Synonym(s) 5-(Trifluoromethyl)-1-benzofuran
  • SMILES C1=C(C=C2C=COC2=C1)C(F)(F)F

Synthesis

  • Route1
    • 1-(2,2-Diethoxyethoxy)-4-(trifluoromethyl)benzene|CS-0969638
      741290-08-4
    • ~%
    • 5-(Trifluoromethyl)benzofuran|CS-0455405
      741290-20-0

    References

    • PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2004/69829 A1, 2004 ; Location in patent: Page 19 ;
  • Route2
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • ~%
    • 5-(Trifluoromethyl)benzofuran|CS-0455405
      741290-20-0

    References

    • BIOENERGENIX; MCCALL, John M.; ROMERO, Donna L.; KELLY, Robert C. Patent: WO2012/119046 A2, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   13.14
  • LogP   3.4516
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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