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CS-W001157 4
Total: USD 88.00

Methyl 2,4,6-trifluorobenzoate

  • CAS No. 79538-28-6

  • Cat. No. CS-0150875
  • Purity≥98%
  • MDL No.MFCD01090991

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

Methyl 2,4,6-trifluorobenzoate|CS-0150875

Structure of 79538-28-6

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General Information

  • CAS No. 79538-28-6
  • Cat. No. CS-0150875
  • Purity ≥98%
  • MDL No. MFCD01090991
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) Benzoic acid,2,4,6-trifluoro-,methyl ester
  • SMILES COC(=O)C1=C(C=C(C=C1F)F)F

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2,4,6-Trifluorobenzoic acid|CS-W002210
      28314-80-9
    • ~86%
    • In-stock
      Methyl 2,4,6-trifluorobenzoate|CS-0150875
      79538-28-6

    References

    • Claramunt, Rosa M.; Lopez, Concepcion; Lopez, Ana; Perez-Medina, Carlos; Perez-Torralba, Marta; Alkorta, Ibon; Elguero, Jose; Escames, Germaine; Acuna-Castroviejo, Dario European Journal of Medicinal Chemistry, 2011 , vol. 46, # 4 p. 1439 - 1447

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.8905
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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