Cas no 1243456-02-1 (3-ethyl-2-fluorophenol)

3-Ethyl-2-fluorophenol is a fluorinated phenolic compound characterized by the presence of an ethyl group at the 3-position and a fluorine atom at the 2-position of the phenol ring. This structural configuration imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The fluorine substitution enhances metabolic stability and lipophilicity, while the ethyl group contributes to steric modulation. Its high purity and well-defined reactivity profile make it suitable for precise functionalization in complex molecular frameworks. The compound is typically handled under controlled conditions due to its sensitivity to oxidation and moisture.
3-ethyl-2-fluorophenol structure
3-ethyl-2-fluorophenol structure
Product Name:3-ethyl-2-fluorophenol
CAS No:1243456-02-1
MF:C8H9FO
MW:140.154865980148
MDL:MFCD16997769
CID:828265
PubChem ID:23037604
Update Time:2025-10-28

3-ethyl-2-fluorophenol Chemical and Physical Properties

Names and Identifiers

    • 3-ethyl-2-fluorophenol
    • MDL: MFCD16997769
    • Inchi: 1S/C8H9FO/c1-2-6-4-3-5-7(10)8(6)9/h3-5,10H,2H2,1H3
    • InChI Key: VGPGDRXGLFCYMD-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1CC)O

Computed Properties

  • Exact Mass: 140.063743068g/mol
  • Monoisotopic Mass: 140.063743068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: 2.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.122±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 195.5±20.0 oC (760 Torr),
  • Flash Point: 84.7±10.5 oC,
  • Solubility: Very slightly soluble (0.78 g/l) (25 o C),

3-ethyl-2-fluorophenol Pricemore >>

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