Cas no 39562-16-8 (Ethyl 3-Nitrobenzylideneacetoacetate)

Ethyl 3-Nitrobenzylideneacetoacetate structure
39562-16-8 structure
Product Name:Ethyl 3-Nitrobenzylideneacetoacetate
CAS No:39562-16-8
MF:C13H13NO5
MW:263.246023893356
CID:924689
PubChem ID:768581
Update Time:2025-04-19

Ethyl 3-Nitrobenzylideneacetoacetate Chemical and Physical Properties

Names and Identifiers

    • &nbsp
    • 3-Nitrobenzylidenacetessigsaeure-ethylester
    • ethyl (3-nitrobenzylidene)acetoacetate
    • ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
    • ethyl 2-(3-nitrobenzylidene)acetoacetate
    • ethyl 2-(3-nitrophenylmethylene)-3-oxobutanoate
    • ethyl 2-(3-nitrophenylmethylene)acetoacetate
    • ETHYL 2-(M-NITROBENZYLIDENE)-ACETOACETATE
    • ethyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
    • ethyl 2-acetyl-3-(3-nitrophenyl)acrylate
    • ETHYL 2-ACETYL-3-(3-NITROPHENYL)PROPENOATE
    • Ethyl -aceto-(m-nitrobenzylidene)acetate
    • Ethyl 3-nitrobenzylideneacetoacetate
    • Ethyl alpha-acetyl-beta-(m-nitrophenyl)acrylate
    • NSC 637307
    • EC 404-490-0
    • ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate
    • NSC637307
    • SR-01000106884-1
    • ethyl (2E)-2-acetyl-3-(3-nitrophenyl)-2-propenoate
    • AKOS001484925
    • 2-(3-nitrobenzylidene)acetoacetic acid ethyl ester
    • SR-01000106884
    • 39562-16-8
    • ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
    • Ethyl 2-(3-Nitrobenzylidene)acetoacetate; Ethyl 2-(3'-Nitrobenzylidene)acetoacetate; Ethyl 2-(m-Nitrobenzylidene)acetoacetate; 2-[(3-Nitrophenyl)methylene]-3-oxo-Butanoic Acid Ethyl Ester;
    • YOPMSDPIOQUWFE-XYOKQWHBSA-N
    • Ethyl 2-acetyl-3-(3-(hydroxy(oxido)amino)phenyl)acrylate
    • (E)-ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
    • Ethyl 3-Nitrobenzylideneacetoacetate
    • Inchi： 1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+
    • InChI Key： YOPMSDPIOQUWFE-XYOKQWHBSA-N
    • SMILES： O(CC)C(/C(/C(C)=O)=C/C1C=CC=C(C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 263.07900
  • Monoisotopic Mass: 263.07937252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 396
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 89.2?2

Experimental Properties

  • Density: 1.261±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 160 oC (ethanol )
  • Solubility: Very slightly soluble (0.26 g/l) (25 o C),
  • PSA: 89.19000
  • LogP: 2.65350

Ethyl 3-Nitrobenzylideneacetoacetate Security Information

Ethyl 3-Nitrobenzylideneacetoacetate 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%

Ethyl 3-Nitrobenzylideneacetoacetate Pricemore >>

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