Cas no 185836-35-5 (4-(Benzyloxy)-2-fluorobenzonitrile)

4-(Benzyloxy)-2-fluorobenzonitrile is a fluorinated aromatic compound featuring a benzyloxy substituent and a nitrile functional group. This structurally versatile intermediate is valuable in organic synthesis, particularly in pharmaceutical and agrochemical research, where fluorinated aromatic systems are often employed to modulate biological activity and metabolic stability. The benzyloxy group enhances solubility and provides a handle for further functionalization, while the nitrile moiety offers reactivity for conversion into carboxylic acids, amides, or heterocycles. Its well-defined purity and stability make it suitable for precision applications in medicinal chemistry and material science. The compound’s synthetic utility is further underscored by its role in constructing complex molecular architectures.
4-(Benzyloxy)-2-fluorobenzonitrile structure
185836-35-5 structure
Product Name:4-(Benzyloxy)-2-fluorobenzonitrile
CAS No:185836-35-5
MF:C14H10FNO
MW:227.233706951141
CID:1090078
PubChem ID:11333628
Update Time:2025-10-16

4-(Benzyloxy)-2-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(Benzyloxy)-2-fluorobenzonitrile
    • 2-fluoro-4-phenylmethoxybenzonitrile
    • 4-Benzyloxy-2-fluoro-benzonitrile
    • 4-Benzyloxy-2-fluorobenzonitrile
    • CS-0156190
    • 185836-35-5
    • AKOS016023716
    • AM807565
    • 2-Fluoro-4-(phenylmethoxy)benzonitrile
    • BS-15770
    • SCHEMBL427002
    • A880699
    • FNDBNJUWRRLOHU-UHFFFAOYSA-N
    • A1-01294
    • DTXSID50462674
    • AU-059/43522023
    • Benzonitrile, 2-fluoro-4-(phenylmethoxy)-
    • DB-086166
    • Inchi: 1S/C14H10FNO/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
    • InChI Key: FNDBNJUWRRLOHU-UHFFFAOYSA-N
    • SMILES: FC1=C(C#N)C=CC(=C1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 227.0747
  • Monoisotopic Mass: 227.074642105g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 279
  • 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: 3.2
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.21±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.01 g/l) (25 o C),
  • PSA: 33.02

4-(Benzyloxy)-2-fluorobenzonitrile Pricemore >>

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