Cas no 1093397-67-1 (4-hydroxy-3-(trifluoromethoxy)benzoic acid)

4-Hydroxy-3-(trifluoromethoxy)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a hydroxyl and trifluoromethoxy substituent on the benzene ring. Its unique structure, combining electron-withdrawing (trifluoromethoxy) and electron-donating (hydroxy) groups, makes it a versatile intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethoxy group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality allows for further derivatization. This compound is particularly valuable in the development of bioactive molecules, including enzyme inhibitors and receptor modulators. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic applications. Suitable for use under controlled conditions, it is typically handled with standard laboratory precautions for carboxylic acids.
4-hydroxy-3-(trifluoromethoxy)benzoic acid structure
1093397-67-1 structure
Product Name:4-hydroxy-3-(trifluoromethoxy)benzoic acid
CAS No:1093397-67-1
MF:C8H5F3O4
MW:222.118113279343
CID:1098604
PubChem ID:58182218
Update Time:2025-06-07

4-hydroxy-3-(trifluoromethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-hydroxy-3-(trifluoromethoxy)benzoic acid
    • SCHEMBL3648979
    • WFZFXTGWKQOWRS-UHFFFAOYSA-N
    • WFZFXTGWKQOWRS-UHFFFAOYSA-M
    • 1093397-67-1
    • Inchi: 1S/C8H5F3O4/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3,12H,(H,13,14)
    • InChI Key: WFZFXTGWKQOWRS-UHFFFAOYSA-N
    • SMILES: FC(OC1C(=CC=C(C(=O)O)C=1)O)(F)F

Computed Properties

  • Exact Mass: 222.01399312g/mol
  • Monoisotopic Mass: 222.01399312g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 66.8?2

4-hydroxy-3-(trifluoromethoxy)benzoic acid Pricemore >>

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