Cas no 85169-02-4 (3-(4-Fluorophenoxy)propanenitrile)

3-(4-Fluorophenoxy)propanenitrile structure
85169-02-4 structure
Product Name:3-(4-Fluorophenoxy)propanenitrile
CAS No:85169-02-4
MF:C9H8FNO
MW:165.164325714111
MDL:MFCD01569391
CID:887319
PubChem ID:24878862
Update Time:2025-04-19

3-(4-Fluorophenoxy)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Fluorophenoxy)propanenitrile
    • 3-(4-fluorophenoxy)propionitrile 97
    • EINECS 285-945-9
    • 3-(4-Fluorophenoxy)propiononitrile
    • DTXSID60234329
    • A863674
    • 85169-02-4
    • AS-6418
    • 3-(4-Fluoro-phenoxy)-propionitrile
    • AKOS000186143
    • 3-(4-FLUOROPHENOXY)PROPIONITRILE 97
    • Z54337110
    • FT-0747476
    • beta-(p-fluorophenoxy)propionitrile
    • 3-(4-fluoro-phenoxy)propionitrile
    • NS00063827
    • MFCD01569391
    • CS-0257134
    • 3-(4-Fluorophenoxy)propionitrile
    • MSQBUHCLFYFIGC-UHFFFAOYSA-N
    • 3-(4-Fluorophenoxy)propionitrile, 97%
    • EN300-66245
    • SCHEMBL9785630
    • 3-(4-Fluorophenoxy)-propionitrile
    • MDL: MFCD01569391
    • Inchi: 1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
    • InChI Key: MSQBUHCLFYFIGC-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)OCCC#N

Computed Properties

  • Exact Mass: 165.05900
  • Monoisotopic Mass: 165.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 167
  • 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: 1.7
  • Topological Polar Surface Area: 33A^2

Experimental Properties

  • Density: 1.165?g/mL?at 25?°C(lit.)
  • Boiling Point: 274?°C(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.501(lit.)
  • PSA: 33.02000
  • LogP: 2.11818

3-(4-Fluorophenoxy)propanenitrile Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

3-(4-Fluorophenoxy)propanenitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(4-Fluorophenoxy)propanenitrile Pricemore >>

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