Cas no 50547-85-8 (Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester)

Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester structure
50547-85-8 structure
Product Name:Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester
CAS No:50547-85-8
MF:C9H15ClO3
MW:206.666602373123
CID:372879
PubChem ID:257335
Update Time:2025-04-19

Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester
    • ethyl 2-carbonochloridoyl-2-ethylbutanoate
    • ethyl 2-carbonochloridoyl-2-ethyl-butanoate
    • 2,2-diethylmalonyl chloride monoethyl ester
    • 2-chlorocarbonyl-2-ethyl-butyric acid ethyl ester
    • Diaethyl-malonsaeure-aethylester-chlorid
    • diethylmalonic acid monochloride monoethyl ester
    • 50547-85-8
    • ethyl 2-(chlorocarbonyl)-2-ethylbutanoate
    • DTXSID10292752
    • NCIOpen2_005094
    • NSC85303
    • NSC-85303
    • Inchi： 1S/C9H15ClO3/c1-4-9(5-2,7(10)11)8(12)13-6-3/h4-6H2,1-3H3
    • InChI Key： BTZMVIQHCCBGII-UHFFFAOYSA-N
    • SMILES： ClC(C(C(=O)OCC)(CC)CC)=O

Computed Properties

  • Exact Mass: 206.07100
  • Monoisotopic Mass: 206.071
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 197
  • 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: 2.8
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.092
  • Boiling Point: 240.9°C at 760 mmHg
  • Flash Point: 87.4°C
  • Refractive Index: 1.445
  • PSA: 43.37000
  • LogP: 2.12130

Butanoic acid,2-(chlorocarbonyl)-2-ethyl-, ethyl ester 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%

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