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CS-W001157 4
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Methyl 5-fluoro-2-(trifluoromethyl)benzoate

  • CAS No. 773873-90-8

  • Cat. No. CS-0098653
  • Purity≥97%
  • MDL No.MFCD06203755

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

Methyl 5-fluoro-2-(trifluoromethyl)benzoate|CS-0098653

Structure of 773873-90-8

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General Information

  • CAS No. 773873-90-8
  • Cat. No. CS-0098653
  • Purity ≥97%
  • MDL No. MFCD06203755
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₄O₂
  • Molecular Weight 222.14
  • Synonym(s) 5-fluoro-2-trifluoromethyl-benzoic acid methyl ester
  • SMILES O=C(C1=CC(F)=CC=C1C(F)(F)F)OC

Synthesis

  • Route1
    • In-stock
      5-Fluoro-2-(trifluoromethyl)benzoic acid|CS-W023084
      654-99-9
    • null|null
      18107-18-1
    • ~%
    • In-stock
      Methyl 5-fluoro-2-(trifluoromethyl)benzoate|CS-0098653
      773873-90-8

    References

    • GLAXO GROUP LIMITED; ALLEN, David, George; COE, Diane, Mary; COOPER, Anthony, William, James; GORE, Paul, Martin; HOUSE, David; SENGER, Stefan; SOLLIS, Steven, Leslie; VILE, Sadie; WILSON, Caroline Patent: WO2010/122089 A1, 2010 ; Location in patent: Page/Page column 64-65 ;

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   26.3
  • LogP   2.6311
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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