Cas no 5950-83-4 (Benzene,1-nitro-2-(4-nitrophenoxy)-)

Benzene,1-nitro-2-(4-nitrophenoxy)- is a nitro-substituted aromatic compound characterized by the presence of two nitro functional groups and an ether linkage. Its molecular structure, featuring a nitrophenoxy moiety, lends it utility as an intermediate in organic synthesis, particularly in the preparation of more complex nitroaromatic derivatives. The compound's reactivity is influenced by the electron-withdrawing effects of the nitro groups, making it suitable for electrophilic substitution or reduction reactions. It may serve as a precursor in the synthesis of dyes, pharmaceuticals, or agrochemicals. Proper handling is essential due to potential hazards associated with nitroaromatic compounds, including thermal instability and toxicity. Storage should be in a cool, dry environment, away from incompatible substances.
Benzene,1-nitro-2-(4-nitrophenoxy)- structure
5950-83-4 structure
Product Name:Benzene,1-nitro-2-(4-nitrophenoxy)-
CAS No:5950-83-4
MF:C12H8N2O5
MW:260.2023229599
CID:372353
PubChem ID:239720
Update Time:2025-09-19

Benzene,1-nitro-2-(4-nitrophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-nitro-2-(4-nitrophenoxy)-
    • 1-nitro-2-(4-nitrophenoxy)benzene
    • (2-Nitro-phenyl)-(4-nitro-phenyl)-aether
    • (2-nitro-phenyl)-(4-nitro-phenyl)-ether
    • (4-Nitrophenyl)(2-nitrophenyl) ether
    • 2-(4'-nitrophenoxy)nitrobenzene
    • 2,4'-dinitridiphenyl ether
    • 2,4'-dinitrodiphenyl ether
    • 2.4'-Dinitro-diphenylaether
    • Einecs 227-715-2
    • NSC45098
    • 2,4'-OXYBIS(NITROBENZENE)
    • SCHEMBL9474586
    • CHEMBL2270121
    • DTXSID00974914
    • NSC 45098
    • NSC-45098
    • NS00047451
    • 5950-83-4
    • AKOS003235598
    • Inchi: 1S/C12H8N2O5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H
    • InChI Key: KDIBCWWBNMTRPK-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 260.04334
  • Monoisotopic Mass: 260.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 330
  • 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: 101?2

Experimental Properties

  • Density: 1.416
  • Boiling Point: 381°C at 760 mmHg
  • Flash Point: 170.7°C
  • Refractive Index: 1.635
  • PSA: 95.51

Benzene,1-nitro-2-(4-nitrophenoxy)- Pricemore >>

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Additional information on Benzene,1-nitro-2-(4-nitrophenoxy)-

Introduction to Benzene, 1-nitro-2-(4-nitrophenoxy) (CAS No. 5950-83-4)

Benzene, 1-nitro-2-(4-nitrophenoxy) (CAS No. 5950-83-4) is a multifaceted organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound, characterized by its unique molecular structure and functional groups, has been the subject of numerous studies due to its potential applications in various scientific and industrial domains.

The chemical structure of Benzene, 1-nitro-2-(4-nitrophenoxy) consists of a benzene ring with a nitro group at the 1-position and a 4-nitrophenoxy group at the 2-position. This arrangement imparts specific chemical properties that make it a valuable compound for both academic research and practical applications. The presence of multiple nitro groups confers high reactivity and stability, which are crucial for many chemical reactions and processes.

In recent years, advancements in analytical techniques have enabled a deeper understanding of the properties and behavior of Benzene, 1-nitro-2-(4-nitrophenoxy). High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in elucidating its molecular structure and confirming its purity. These techniques have also facilitated the identification of potential impurities and by-products, ensuring that the compound meets the stringent quality standards required for research and industrial use.

One of the key areas where Benzene, 1-nitro-2-(4-nitrophenoxy) has shown promise is in the field of medicinal chemistry. Its unique combination of functional groups makes it an attractive candidate for the development of novel drugs. Recent studies have explored its potential as an intermediate in the synthesis of anti-inflammatory agents, antiviral compounds, and anticancer drugs. The nitro groups can be reduced to amino groups or other functional groups through various chemical transformations, providing a versatile platform for drug design.

For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of Benzene, 1-nitro-2-(4-nitrophenoxy) as a key intermediate in the synthesis of a novel class of anti-inflammatory compounds. The researchers demonstrated that these compounds exhibited potent anti-inflammatory activity in both in vitro and in vivo models, suggesting their potential therapeutic applications. Another study in the European Journal of Medicinal Chemistry reported the synthesis of antiviral agents using this compound as a starting material. The resulting compounds showed significant antiviral activity against several strains of viruses, including influenza and herpes simplex virus.

In addition to its medicinal applications, Benzene, 1-nitro-2-(4-nitrophenoxy) has also found use in materials science. Its high reactivity and stability make it suitable for the synthesis of advanced materials with unique properties. For example, researchers at the University of California have utilized this compound to develop new types of polymers with enhanced mechanical strength and thermal stability. These polymers have potential applications in aerospace engineering, electronics, and other high-tech industries.

The environmental impact of Benzene, 1-nitro-2-(4-nitrophenoxy) is another area of active research. While the compound itself is not classified as hazardous under current regulations, its production and disposal must be managed carefully to minimize environmental risks. Studies have shown that proper waste management practices can significantly reduce the environmental footprint associated with its use. Additionally, efforts are underway to develop more sustainable synthetic routes for this compound using green chemistry principles.

In conclusion, Benzene, 1-nitro-2-(4-nitrophenoxy) (CAS No. 5950-83-4) is a versatile organic compound with a wide range of applications in chemistry, biology, and pharmaceutical research. Its unique molecular structure and functional groups make it an invaluable tool for scientists working on drug discovery, materials science, and environmental studies. As research continues to advance, it is likely that new applications for this compound will be discovered, further expanding its importance in various scientific fields.

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