Cas no 871127-79-6 ( )

  structure
  structure
Product Name: 
CAS No:871127-79-6
MF:C12H12F2O3
MW:242.218690872192
CID:866981
PubChem ID:24726921
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 6-(3,5-DIFLUOROPHENYL)-6-OXOHEXANOIC ACID
    • AKOS016022387
    • DTXSID90645308
    • 6-(3,5-DIFLUOROPHENYL)-6-OXOHEXANOICACID
    • SCHEMBL5080184
    • MFCD01320076
    • 871127-79-6
    •  
    • MDL: MFCD01320076
    • Inchi: 1S/C12H12F2O3/c13-9-5-8(6-10(14)7-9)11(15)3-1-2-4-12(16)17/h5-7H,1-4H2,(H,16,17)
    • InChI Key: GPRSZBJFIFKPIA-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C(CCCCC(=O)O)=O)F

Computed Properties

  • Exact Mass: 242.07500
  • Monoisotopic Mass: 242.07545056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 271
  • 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: 2
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.274
  • Melting Point: Not available
  • Boiling Point: 391.7°C at 760 mmHg
  • Flash Point: 190.7°C
  • Refractive Index: 1.504
  • PSA: 54.37000
  • LogP: 2.79250

  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 >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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6-(3,5-difluorophenyl)-6-oxohexanoic acid
871127-79-6 97%
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£716.00 2022-03-01
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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A2B Chem LLC
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$516.00 2024-04-19
A2B Chem LLC
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