Cas no 773868-67-0 (2,6-Dimethyl-4-fluorobenzyl alcohol)

2,6-Dimethyl-4-fluorobenzyl alcohol is a fluorinated aromatic alcohol characterized by its distinct substitution pattern, featuring methyl groups at the 2- and 6-positions and a fluorine atom at the 4-position of the benzyl ring. This structural configuration enhances its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the fluorobenzyl moiety contributes to improved metabolic stability and bioavailability in derived compounds. Its high purity and well-defined reactivity make it suitable for precise synthetic applications, including nucleophilic substitutions and cross-coupling reactions. The compound is typically handled under standard laboratory conditions, with stability under inert atmospheres.
2,6-Dimethyl-4-fluorobenzyl alcohol structure
773868-67-0 structure
Product Name:2,6-Dimethyl-4-fluorobenzyl alcohol
CAS No:773868-67-0
MF:C9H11FO
MW:154.181446313858
MDL:MFCD03701056
CID:552220
PubChem ID:45090576
Update Time:2025-05-27

2,6-Dimethyl-4-fluorobenzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,4-fluoro-2,6-dimethyl-
    • (4-Fluoro-2,6-dimethylphenyl)methanol
    • 2,6-Dimethyl-4-fluorobenzyl alcohol
    • Benzenemethanol, 4-fluoro-2,6-dimethyl- (9CI)
    • AG-H-09544
    • CTK5E4363
    • MolPort-004-781-936
    • PC5427
    • SBB087014
    • (4-fluoro-2,6-dimethyl-phenyl)methanol
    • AB93163
    • 773868-67-0
    • CS-0194106
    • MFCD03701056
    • 4-Fluoro-2,6-dimethyl-benzyl alcohol
    • A839074
    • E89697
    • SCHEMBL14724936
    • DTXSID30666653
    • MDL: MFCD03701056
    • Inchi: 1S/C9H11FO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4,11H,5H2,1-2H3
    • InChI Key: UKQSZVFDOPDBJD-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C(CO)=C(C)C=1

Computed Properties

  • Exact Mass: 154.079
  • Monoisotopic Mass: 154.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 115
  • 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
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.101
  • Melting Point: NA
  • Boiling Point: 248.9°C at 760 mmHg
  • Flash Point: 127.6°C
  • Refractive Index: 1.516
  • PSA: 20.23000
  • LogP: 1.93480
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

2,6-Dimethyl-4-fluorobenzyl alcohol Security Information

2,6-Dimethyl-4-fluorobenzyl alcohol Pricemore >>

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