Cas no 898752-08-4 ( )

  structure
  structure
Product Name: 
CAS No:898752-08-4
MF:C12H13FO3
MW:224.228227376938
CID:872519
PubChem ID:24727345
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(3-fluorophenyl)-4-oxobutanoate
    • ETHYL 4-(3-FLUOROPHENYL)-4-OXOBUTYRATE
    • 4-(3-fluorophenyl)-4-oxobutyric acid ethyl ester
    • SCHEMBL5313798
    • 898752-08-4
    • ETHYL4-(3-FLUOROPHENYL)-4-OXOBUTYRATE
    • MFCD01320234
    • AKOS010910770
    • DTXSID40645570
    •  
    • MDL: MFCD01320234
    • Inchi: 1S/C12H13FO3/c1-2-16-12(15)7-6-11(14)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3
    • InChI Key: WMDPIZGDPAHEAY-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C(CCC(=O)OCC)=O

Computed Properties

  • Exact Mass: 224.08500
  • Monoisotopic Mass: 224.08487243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 253
  • 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: 1.8
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.151
  • Boiling Point: 329.3°C at 760 mmHg
  • Flash Point: 147.9°C
  • Refractive Index: 1.493
  • PSA: 43.37000
  • LogP: 2.35170

  Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

  Pricemore >>

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