Cas no 474554-45-5 (4,5-Diethoxy-3-fluorophthalonitrile)

4,5-Diethoxy-3-fluorophthalonitrile structure
474554-45-5 structure
Product Name:4,5-Diethoxy-3-fluorophthalonitrile
CAS No:474554-45-5
MF:C12H11FN2O2
MW:234.226346254349
CID:324579
PubChem ID:22929841
Update Time:2025-04-19

4,5-Diethoxy-3-fluorophthalonitrile Chemical and Physical Properties

Names and Identifiers

    • 4,5-Diethoxy-3-fluorophthalonitrile
    • 1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro-
    • 4,5-diethoxy-3-fluorobenzene-1,2-dicarbonitrile
    • AKOS015890583
    • 1,2-Benzenedicarbonitrile,4,5-diethoxy-3-fluoro-
    • SCHEMBL1405776
    • 474554-45-5
    • QUKCZYZZKGEXNQ-UHFFFAOYSA-N
    • DTXSID50628990
    • DB-090499
    • Inchi: 1S/C12H11FN2O2/c1-3-16-10-5-8(6-14)9(7-15)11(13)12(10)17-4-2/h5H,3-4H2,1-2H3
    • InChI Key: QUKCZYZZKGEXNQ-UHFFFAOYSA-N
    • SMILES: FC1=C(C#N)C(C#N)=CC(=C1OCC)OCC

Computed Properties

  • Exact Mass: 234.08
  • Monoisotopic Mass: 234.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 343
  • 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: 66A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.21±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 377.4°C at 760 mmHg
  • Flash Point: 182.1°C
  • Refractive Index: 1.515
  • Solubility: Insuluble (7.5E-3 g/L) (25 oC),

4,5-Diethoxy-3-fluorophthalonitrile Pricemore >>

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