Cas no 332103-25-0 (1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione)

1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione structure
332103-25-0 structure
Product Name:1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CAS No:332103-25-0
MF:C16H13FO3
MW:272.271028280258
MDL:MFCD20502994
CID:869747
PubChem ID:776160
Update Time:2025-04-19

1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
    • HMS2283J23
    • MDL： MFCD20502994
    • Inchi： 1S/C16H13FO3/c1-10-5-6-14(18)13(7-10)16(20)9-15(19)11-3-2-4-12(17)8-11/h2-8,18H,9H2,1H3
    • InChI Key： WDTPYUPMJGKEMJ-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1)C(CC(C1C(=CC=C(C)C=1)O)=O)=O

Computed Properties

  • Exact Mass: 272.08500
  • Monoisotopic Mass: 272.08487243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 369
  • 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: 3.8
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.261
  • Boiling Point: 442.9°C at 760 mmHg
  • Flash Point: 221.7°C
  • Refractive Index: 1.587
  • PSA: 54.37000
  • LogP: 3.29540

1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione Customs Data

  • HS CODE：2914700090
  • Customs Data：

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(3-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione Pricemore >>

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abcr
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