Cas no 1597922-56-9 (Benzenemethanol, 2-fluoro-α,4-dimethyl-)

Benzenemethanol, 2-fluoro-α,4-dimethyl-, is a fluorinated aromatic alcohol with a molecular formula of C9H11FO. This compound features a fluorine substituent at the 2-position and methyl groups at the α and 4-positions of the benzene ring, imparting unique steric and electronic properties. Its structural characteristics make it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals, where fluorinated compounds are often sought for enhanced stability and bioavailability. The presence of both hydroxyl and fluorine groups allows for versatile functionalization, enabling applications in cross-coupling reactions, derivatization, and as a building block for complex molecules. It is typically handled under standard laboratory conditions, with attention to appropriate safety protocols.
Benzenemethanol, 2-fluoro-α,4-dimethyl- structure
1597922-56-9 structure
Product Name:Benzenemethanol, 2-fluoro-α,4-dimethyl-
CAS No:1597922-56-9
MF:C9H11FO
MW:154.181446313858
CID:5265120
PubChem ID:59295890
Update Time:2026-03-09

Benzenemethanol, 2-fluoro-α,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2-fluoro-α,4-dimethyl-
    • Inchi: 1S/C9H11FO/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5,7,11H,1-2H3
    • InChI Key: ULWRQNPVTIMXSU-UHFFFAOYSA-N
    • SMILES: C(C1C=CC(C)=CC=1F)(O)C

Computed Properties

  • Exact Mass: 154.079393132g/mol
  • Monoisotopic Mass: 154.079393132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 20.2?2

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