Cas no 898791-66-7 ( )

  structure
  structure
Product Name: 
CAS No:898791-66-7
MF:C13H13F3O
MW:242.236934423447
CID:994391
PubChem ID:24724173
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • Cyclopentyl 3-trifluoromethylphenyl ketone
    • cyclopentyl-[3-(trifluoromethyl)phenyl]methanone
    • Cyclopentyl(3-(trifluoromethyl)phenyl)methanone
    • MFCD03841322
    • Cyclopentyl[3-(trifluoromethyl)phenyl]methanone
    • DTXSID70642572
    • AKOS010015150
    • 898791-66-7
    •  
    • MDL： MFCD03841322
    • Inchi： 1S/C13H13F3O/c14-13(15,16)11-7-3-6-10(8-11)12(17)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
    • InChI Key： AVFDTWBLQYATME-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=CC(=C1)C(C1CCCC1)=O)(F)F

Computed Properties

  • Exact Mass: 242.09200
  • Monoisotopic Mass: 242.09184952g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 279
  • 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: 4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 4.07830

  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%

  Pricemore >>

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A2B Chem LLC
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A2B Chem LLC
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A2B Chem LLC
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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