Cas no 1806842-46-5 (Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate)

Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate is a fluorinated aromatic ester characterized by its trifluoromethyl and methoxy substituents, which impart unique electronic and steric properties. The presence of multiple trifluoromethyl groups enhances its lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical applications. The methoxy and ester functionalities provide reactive handles for further chemical modifications. This compound is particularly useful as an intermediate in the synthesis of complex molecules, where its electron-withdrawing groups can influence reactivity and selectivity. Its high purity and well-defined structure ensure consistency in research and industrial processes. Suitable for use in organofluorine chemistry, it offers versatility in drug discovery and material science applications.
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate structure
1806842-46-5 structure
Product Name:Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate
CAS No:1806842-46-5
MF:C11H8F6O3
MW:302.16984462738
CID:4954746
Update Time:2025-09-28

Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate
    • Inchi: 1S/C11H8F6O3/c1-19-8-6(9(18)20-2)3-5(10(12,13)14)4-7(8)11(15,16)17/h3-4H,1-2H3
    • InChI Key: YBXPRNQGSWYBPX-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(F)(F)F)C=C(C(=O)OC)C=1OC)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 351
  • XLogP3: 3.5
  • Topological Polar Surface Area: 35.5

Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015009035-1g
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate
1806842-46-5 97%
1g
1,564.50 USD 2021-06-21

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