Cas no 51727-42-5 (Bis(2-nitrophenyl)methanone)

Bis(2-nitrophenyl)methanone structure
Bis(2-nitrophenyl)methanone structure
Product Name:Bis(2-nitrophenyl)methanone
CAS No:51727-42-5
MF:C13H8N2O5
MW:272.21302318573
CID:1094301
PubChem ID:11000190
Update Time:2025-04-23

Bis(2-nitrophenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • Bis(2-nitrophenyl)methanone
    • dinitrobenzophenone
    • 2,2'-dinitrophenone
    • nitrophenyl ketone
    • o,o'-Dinitrobenzophenone
    • SCHEMBL975117
    • 51727-42-5
    • Methanone, bis(nitrophenyl)-
    • GKQPYCWSUVGAGJ-UHFFFAOYSA-N
    • DTXSID60451413
    • 58704-56-6
    • Inchi: 1S/C13H8N2O5/c16-13(9-5-1-3-7-11(9)14(17)18)10-6-2-4-8-12(10)15(19)20/h1-8H
    • InChI Key: GKQPYCWSUVGAGJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1[N+](=O)[O-])C1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 272.04300
  • Monoisotopic Mass: 272.04332136g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 365
  • 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: 2.9
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • PSA: 108.71000
  • LogP: 3.78040

Bis(2-nitrophenyl)methanone 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%

Bis(2-nitrophenyl)methanone Pricemore >>

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Bis(2-nitrophenyl)methanone Production Method

Additional information on Bis(2-nitrophenyl)methanone

Bis(2-nitrophenyl)methanone (CAS 51727-42-5): Properties, Applications, and Market Insights

Bis(2-nitrophenyl)methanone (CAS 51727-42-5) is an organic compound belonging to the class of aromatic ketones. This yellow crystalline powder is widely recognized for its unique chemical properties and diverse applications in industrial and research settings. The compound's molecular structure features two 2-nitrophenyl groups attached to a central carbonyl group, contributing to its distinct reactivity and functionality.

The global market for specialty chemicals like Bis(2-nitrophenyl)methanone has been growing steadily, driven by increasing demand from the pharmaceutical intermediates sector and organic synthesis applications. Recent trends in green chemistry have sparked interest in developing more sustainable production methods for such compounds, aligning with the industry's focus on environmentally friendly processes.

From a chemical perspective, Bis(2-nitrophenyl)methanone demonstrates interesting properties that make it valuable for various synthetic applications. The compound has a molecular weight of 272.23 g/mol and typically appears as pale yellow crystals at room temperature. Its nitro groups contribute to its electron-withdrawing characteristics, which influence its reactivity in organic reactions.

One of the most common questions researchers have about CAS 51727-42-5 relates to its solubility characteristics. The compound shows limited solubility in water but dissolves well in many organic solvents including dimethyl sulfoxide (DMSO), dimethylformamide (DMF), and certain alcohols. This solubility profile makes it particularly useful for applications requiring organic phase reactions.

In industrial applications, Bis(2-nitrophenyl)methanone serves as a key intermediate in the synthesis of more complex organic molecules. The compound's aromatic nitro groups can be selectively reduced to amines, making it valuable for producing pharmaceutical precursors and dye intermediates. Recent patent literature reveals growing interest in using this compound for developing new functional materials with specialized optical or electronic properties.

The safety profile of Bis(2-nitrophenyl)methanone has been extensively studied, with standard handling procedures recommended for laboratory and industrial use. Proper personal protective equipment (PPE) including gloves and safety glasses should be used when working with this compound. Storage recommendations typically include keeping the material in a cool, dry place away from strong oxidizers.

Analytical characterization of CAS 51727-42-5 typically involves techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry. These methods help ensure the purity and quality of the compound for research and industrial applications. Recent advances in analytical technology have enabled more precise quantification of impurities in such specialty chemicals.

From a market perspective, the demand for Bis(2-nitrophenyl)methanone has shown steady growth, particularly in regions with strong pharmaceutical manufacturing sectors. Price trends for this compound reflect the costs associated with its synthesis and purification processes, with fluctuations often tied to raw material availability and energy costs. Suppliers typically offer this compound in various packaging options ranging from small laboratory quantities to bulk industrial shipments.

Environmental considerations for Bis(2-nitrophenyl)methanone include proper waste disposal methods and potential biodegradation pathways. Research into green chemistry alternatives for producing similar compounds has gained momentum, though CAS 51727-42-5 remains important for many established synthetic routes. The compound's environmental fate and transport characteristics continue to be areas of active investigation.

Future research directions for Bis(2-nitrophenyl)methanone may explore its potential in emerging fields such as materials science and nanotechnology. The compound's structural features make it interesting for designing new functional polymers or molecular devices. Additionally, modifications to its core structure could yield derivatives with novel biological activities, potentially opening new applications in medicinal chemistry.

For researchers working with Bis(2-nitrophenyl)methanone, proper documentation and record-keeping are essential. The compound should be clearly labeled with its CAS number 51727-42-5 and appropriate hazard information when required. Safety data sheets provide comprehensive information about handling, storage, and emergency procedures related to this chemical.

In conclusion, Bis(2-nitrophenyl)methanone represents an important building block in organic synthesis with diverse applications across multiple industries. Its unique chemical properties, combined with growing interest in specialty organic intermediates, ensure its continued relevance in chemical research and manufacturing. As synthetic methodologies advance and new applications emerge, this compound will likely maintain its position as a valuable tool for chemists and materials scientists alike.

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