Cas no 71682-95-6 (3-(2,4-Difluorophenyl)-3-oxopropanenitrile)

3-(2,4-Difluorophenyl)-3-oxopropanenitrile is a versatile intermediate in organic synthesis, offering high purity and stability. Its distinct difluorophenyl group enhances its reactivity and selectivity, making it ideal for the synthesis of complex organic molecules. The compound's structural features provide excellent compatibility with various reaction conditions, ensuring efficient transformations.
3-(2,4-Difluorophenyl)-3-oxopropanenitrile structure
71682-95-6 structure
Product Name:3-(2,4-Difluorophenyl)-3-oxopropanenitrile
CAS No:71682-95-6
MF:C9H5F2NO
MW:181.138909101486
MDL:MFCD02260804
CID:548390
PubChem ID:12540174
Update Time:2025-11-01

3-(2,4-Difluorophenyl)-3-oxopropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(2,4-Difluorophenyl)-3-oxopropanenitrile
    • 2,4-Difluorobenzoylacetonitrile
    • Benzenepropanenitrile,2,4-difluoro-b-oxo-
    • 2,4,6-TRIIODO-PHENYLAMINE
    • 2,4-Difluoro-beta-Oxo-Benzenepropanenitrile
    • 2,4-Difluoro-b-oxo-benzenepropanenitrile
    • PC9043
    • A9375
    • AKOS000168187
    • DTXSID50501810
    • 2',4'-Difluorobenzoylacetonitrile
    • 71682-95-6
    • FT-0604199
    • W10646
    • MFCD02260804
    • AB92933
    • IHOQJCDNMJJLME-UHFFFAOYSA-N
    • SCHEMBL5931410
    • PS-8534
    • AM804269
    • CS-0205261
    • SY268680
    • 3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE
    • 3-(2,4-Difluorophenyl)-3-oxopropanenitrile, 3-(2,4-Difluorophenyl)-3-oxopropionitrile
    • DB-015915
    • MDL： MFCD02260804
    • Inchi： 1S/C9H5F2NO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
    • InChI Key： IHOQJCDNMJJLME-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=CC=1C(CC#N)=O)F

Computed Properties

  • Exact Mass: 181.03400
  • Monoisotopic Mass: 181.03392011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 245
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.7
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 304°C at 760 mmHg
  • Flash Point: 137.7°C
  • Refractive Index: 1.497
  • PSA: 40.86000
  • LogP: 2.06118

3-(2,4-Difluorophenyl)-3-oxopropanenitrile 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-(2,4-Difluorophenyl)-3-oxopropanenitrile Pricemore >>

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abcr
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abcr
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eNovation Chemicals LLC
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