Cas no 1234-21-5 (Urea,N,N'-bis(3-nitrophenyl)-)

Urea,N,N'-bis(3-nitrophenyl)- structure
Urea,N,N'-bis(3-nitrophenyl)- structure
Product Name:Urea,N,N'-bis(3-nitrophenyl)-
CAS No:1234-21-5
MF:C13H10N4O5
MW:302.242302417755
MDL:MFCD00550130
CID:233271
PubChem ID:237811
Update Time:2025-04-24

Urea,N,N'-bis(3-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Urea,N,N'-bis(3-nitrophenyl)-
    • 1,3-bis(3-nitrophenyl)urea
    • BDBM82820
    • HMS2607N07
    • 1234-21-5
    • DTXSID30285404
    • SR-01000106246
    • NSC41677
    • EU-0066839
    • SMR000304433
    • Urea, N,N'-bis(3-nitrophenyl)-
    • CS-0334828
    • N,N'-bis(3-nitrophenyl)urea
    • MFCD00550130
    • N,N'-Bis[3-nitrophenyl]urea
    • AKOS001483478
    • MLS000719904
    • NSC-41677
    • CHEMBL1443422
    • SCHEMBL1047211
    • cid_237811
    • 1,3-bis(m-nitrophenyl)urea
    • 3,3'-Dinitrocarbanilide
    • SR-01000106246-1
    • MDL: MFCD00550130
    • Inchi: 1S/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8H,(H2,14,15,18)
    • InChI Key: LMGCNSZBVIPYHM-UHFFFAOYSA-N
    • SMILES: O=C(NC1C=CC=C(C=1)[N+](=O)[O-])NC1C=CC=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 302.0652
  • Monoisotopic Mass: 302.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 395
  • 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: 2.7
  • Topological Polar Surface Area: 133?2

Experimental Properties

  • Density: 1.561
  • Boiling Point: 380.7°Cat760mmHg
  • Flash Point: 184.1°C
  • Refractive Index: 1.741
  • PSA: 127.41

Urea,N,N'-bis(3-nitrophenyl)- Pricemore >>

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Urea,N,N'-bis(3-nitrophenyl)- Related Literature

Additional information on Urea,N,N'-bis(3-nitrophenyl)-

Urea,N,N'-bis(3-nitrophenyl)- (CAS No 1234-21-5): A Comprehensive Technical Overview

Urea,N,N'-bis(3-nitrophenyl)- (CAS No 1234-21-5), also known as N,N'-bis(3-nitrophenyl)urea or 3-nitrophenyl urea derivative, is a specialized organic compound that has garnered significant attention in various industrial and research applications. This yellow crystalline powder belongs to the family of diarylurea compounds, characterized by its unique molecular structure featuring two 3-nitrophenyl groups attached to a urea core. The compound's molecular formula is C13H10N4O5, with a molecular weight of 302.24 g/mol.

The growing interest in nitrophenyl urea derivatives stems from their versatile properties and potential applications in material science and specialty chemistry. Recent advancements in organic synthesis have highlighted the importance of such compounds as building blocks for more complex molecular architectures. Researchers are particularly interested in the electron-withdrawing properties of the nitro groups, which influence the compound's reactivity and potential applications in advanced material development.

From a physicochemical perspective, Urea,N,N'-bis(3-nitrophenyl)- demonstrates several notable characteristics. The compound typically appears as a yellow crystalline powder at room temperature, with a melting point range between 280-285°C. Its solubility profile shows limited solubility in water but better dissolution in polar organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF). These properties make it particularly useful in various industrial applications where controlled solubility is required.

The synthesis of Urea,N,N'-bis(3-nitrophenyl)- typically involves the reaction of 3-nitroaniline with phosgene or its safer equivalents, followed by careful purification processes. Modern green chemistry approaches have focused on developing more environmentally friendly synthetic routes, addressing current concerns about sustainable chemical production. This aligns with the growing market demand for eco-friendly chemical processes and reduced environmental impact in specialty chemical manufacturing.

In terms of applications, N,N'-bis(3-nitrophenyl)urea serves multiple roles across different industries. In the pharmaceutical sector, it acts as a valuable intermediate for the synthesis of more complex molecules with potential biological activity. The compound's structure makes it particularly interesting for medicinal chemistry research, especially in the development of novel therapeutic agents. Additionally, its unique properties have found use in material science applications, particularly in the development of specialty polymers and advanced materials with specific optical or electronic characteristics.

The global market for Urea,N,N'-bis(3-nitrophenyl)- has shown steady growth in recent years, driven by increasing demand from research institutions and specialty chemical manufacturers. Market analysts note particular interest from the Asia-Pacific region, where growing investments in chemical research and development have created new opportunities for specialty compounds. Current market trends indicate that suppliers are focusing on improving purity standards and developing more efficient production methods to meet the evolving needs of industrial and academic customers.

From a safety and handling perspective, proper precautions should be taken when working with CAS No 1234-21-5. While not classified as hazardous under standard regulations, it's recommended to use appropriate personal protective equipment (PPE) including gloves and safety glasses when handling the compound. Storage should be in a cool, dry place away from strong oxidizers, following standard chemical storage protocols for organic compounds.

Recent scientific literature has highlighted several innovative applications for 3-nitrophenyl urea derivatives. Researchers are exploring their potential in molecular recognition systems, supramolecular chemistry, and as components in advanced sensor technologies. The compound's ability to form hydrogen bonds and its electron-accepting properties make it particularly interesting for these cutting-edge applications. These developments align with current interests in smart materials and functional molecular systems.

Quality control for Urea,N,N'-bis(3-nitrophenyl)- typically involves analytical techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry. These methods ensure the compound meets the required purity standards for various applications. The industry standard typically specifies a minimum purity of 98%, with higher grades available for research applications requiring exceptional quality.

Looking toward the future, research into nitrophenyl urea compounds continues to expand, with particular focus on their potential in renewable energy applications and advanced material science. The compound's unique electronic properties make it a candidate for investigation in organic electronics and photovoltaic applications. As sustainability becomes increasingly important in chemical development, researchers are also exploring biodegradable derivatives and green synthesis methods for this class of compounds.

For researchers and industrial users seeking Urea,N,N'-bis(3-nitrophenyl)-, it's important to source the material from reputable suppliers who can provide comprehensive technical data sheets and certificates of analysis. Many suppliers now offer custom synthesis services and technical support for specific application development, reflecting the growing specialization in the fine chemicals market. Proper documentation and regulatory compliance are essential considerations when procuring and using this specialty chemical.

In conclusion, CAS No 1234-21-5 represents an important compound in the family of diarylurea derivatives, with diverse applications across multiple scientific and industrial domains. Its unique combination of chemical properties continues to inspire research and development efforts, particularly in cutting-edge areas of material science and specialty chemical applications. As innovation in chemical technology progresses, N,N'-bis(3-nitrophenyl)urea is likely to maintain its relevance as a valuable building block for advanced materials and specialized chemical products.

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