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CS-W001157 4
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3-Methyl-5-(trifluoromethoxy)benzoic acid

  • CAS No. 916420-51-4

  • Cat. No. CS-0315395
  • Molecule weight220.15
  • Purity95+%
  • MDL No.None

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

3-Methyl-5-(trifluoromethoxy)benzoic acid|CS-0315395

Structure of 916420-51-4

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General Information

  • CAS No. 916420-51-4
  • Cat. No. CS-0315395
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight 220.15
  • Synonym(s) 5-(Trifluoromethoxy)-m-toluic acid, 3-Carboxy-5-(trifluoromethoxy)toluene
  • SMILES CC1=CC(=CC(=C1)OC(F)(F)F)C(=O)O

Synthesis

  • Route1

    References

    • ARENA PHARMACEUTICALS, INC. Patent: WO2009/78983 A1, 2009 ; Location in patent: Page/Page column 101 ; WO 2009/078983 A1

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.59182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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