Cas no 920525-52-6 (Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl-)

Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl-, is a fluorinated aromatic aldehyde with a hydroxyl and methyl substituent, offering unique reactivity and structural features for synthetic applications. The presence of both electron-withdrawing (fluoro) and electron-donating (hydroxy, methyl) groups on the benzene ring enhances its utility in fine chemical synthesis, particularly in pharmaceutical and agrochemical intermediates. The fluorine atom improves metabolic stability and binding affinity in bioactive molecules, while the hydroxy and methyl groups provide sites for further functionalization. This compound is valued for its versatility in cross-coupling reactions, nucleophilic substitutions, and as a building block for complex heterocycles. Its well-defined structure ensures consistent performance in research and industrial applications.
Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl- structure
920525-52-6 structure
Product Name:Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl-
CAS No:920525-52-6
MF:C8H7FO2
MW:154.138386011124
CID:756115
PubChem ID:71424033
Update Time:2025-06-07

Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2-fluoro-6-hydroxy-3-methyl-
    • 2-fluoro-6-hydroxy-3-methylbenzaldehyde
    • DTXSID70842838
    • SCHEMBL5291577
    • 920525-52-6
    • E92656
    • Inchi： 1S/C8H7FO2/c1-5-2-3-7(11)6(4-10)8(5)9/h2-4,11H,1H3
    • InChI Key： MIYJTMOFXQOXSE-UHFFFAOYSA-N
    • SMILES： FC1C(C=O)=C(C=CC=1C)O

Computed Properties

  • Exact Mass: 154.04300762g/mol
  • Monoisotopic Mass: 154.04300762g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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
  • Topological Polar Surface Area: 37.3?2

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