Cas no 39562-27-1 (2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester)

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid Methyl Ester is a specialized organic compound. It exhibits high purity and stability, making it ideal for research and synthesis applications. This compound offers versatile reactivity and serves as a valuable intermediate in the production of fine chemicals and pharmaceuticals. Its unique structural features contribute to its distinctive properties, making it a valuable tool in chemical research.
2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester structure
39562-27-1 structure
Product Name:2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester
CAS No:39562-27-1
MF:C12H11NO5
MW:249.219443559647
MDL:MFCD00551860
CID:316092
PubChem ID:2259865
Update Time:2025-06-18

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-, methyl ester
    • 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester
    • Methyl 2-(2-nitrobenzylidene)acetoacetate
    • METHYL 2-(O-NITROBENZYLIDENE)-ACETOACETATE
    • 2-Nitrobenzylidenacetessigsaeuremethylester
    • 2-NITROBENZYLIDENEMETHYLESTER
    • 2-Nitrobenzylidenmethylester
    • methyl (Z)-2-(2-nitrosobenzylidene)-3-oxobutanoate
    • Methyl 2-(o-nitrobenzylidene)acetoacetate
    • Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester
    • 111304-29-1
    • EC 400-650-9
    • (E)-methyl 2-(2-nitrobenzylidene)-3-oxobutanoate
    • methyl 2-(2-nitrobenzylidene)-3-oxobutanoate
    • SR-01000197290
    • methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
    • Methyl (E)-2-(2-nitrobenzylidene)-3-oxobutanoate
    • UNII-CT1ZDT0OJI
    • Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester, (E)-
    • SCHEMBL3131439
    • A824620
    • CT1ZDT0OJI
    • 39562-27-1
    • AKOS001030199
    • SR-01000197290-1
    • MFCD00551860
    • Nifedipine Imp. C
    • APKKCRAKPMSAEI-JXMROGBWSA-N
    • MDL： MFCD00551860
    • Inchi： 1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3/b10-7+
    • InChI Key： APKKCRAKPMSAEI-JXMROGBWSA-N
    • SMILES： O(C)C(/C(/C(C)=O)=C/C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 249.06400
  • Monoisotopic Mass: 249.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.7
  • Topological Polar Surface Area: 89.2A^2

Experimental Properties

  • Density: 1.296±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 100-101 oC (ethanol )
  • Boiling Point: 395.9°Cat760mmHg
  • Flash Point: 177.2°C
  • Refractive Index: 1.583
  • Solubility: Very slightly soluble (0.5 g/l) (25 o C),
  • PSA: 89.19000
  • LogP: 2.26340

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester Security Information

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl 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%

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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 ￡124.00 2025-02-19
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AB338827-10 g
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TRC
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N493680-5g
2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester
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abcr
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Methyl 2-(2-nitrobenzylidene)acetoacetate, 95%; .
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