Cas no 175278-34-9 (N,N'-Di-(2-bromophenyl)urea)

N,N'-Di-(2-bromophenyl)urea is a brominated aromatic urea derivative with applications in organic synthesis and pharmaceutical research. Its key structural features include two 2-bromophenyl groups attached to a urea core, enhancing its reactivity in cross-coupling reactions and serving as a versatile intermediate for constructing complex molecules. The presence of bromine atoms offers selective sites for further functionalization, making it valuable in medicinal chemistry and material science. This compound exhibits stability under standard conditions, ensuring reliable handling and storage. Its well-defined molecular structure allows for precise modifications, supporting its use in the development of bioactive compounds and advanced polymers.
N,N'-Di-(2-bromophenyl)urea structure
N,N'-Di-(2-bromophenyl)urea structure
Product Name:N,N'-Di-(2-bromophenyl)urea
CAS No:175278-34-9
MF:C13H10Br2N2O
MW:370.039301395416
MDL:MFCD00221475
CID:133773
PubChem ID:2747578
Update Time:2025-11-02

N,N'-Di-(2-bromophenyl)urea Chemical and Physical Properties

Names and Identifiers

    • 1,1-Bis(2-bromophenyl)urea
    • 1,3-bis(2-bromophenyl)urea
    • N,N'-Di-(2-bromophenyl)urea
    • N,N'-DI(2-BROMOPHENYL)UREA
    • Urea,N,N'-bis(2-bromophenyl)-
    • Urea,N,N'-bis(2-bromophenyl)
    • N,N'-BIS-(2-BROMOPHENYL)UREA
    • Maybridge1_000151
    • MFCD00221475
    • CS-0333836
    • AKOS002685269
    • SR-01000640979-1
    • SCHEMBL13235126
    • CCG-51691
    • N,N'-Bis(2-bromophenyl)urea
    • DTXSID10372669
    • Urea, N,N'-bis(2-bromophenyl)-
    • N,N/'-DI(2-BROMOPHENYL)UREA
    • MixCom1_000283
    • N,N'-bis(2-Bromoyphenyl)urea
    • 175278-34-9
    • FT-0629431
    • MDL: MFCD00221475
    • Inchi: 1S/C13H10Br2N2O/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
    • InChI Key: KGIPPUCGBSFACI-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1NC(NC1C=CC=CC=1Br)=O

Computed Properties

  • Exact Mass: 367.91600
  • Monoisotopic Mass: 367.91599g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 262
  • 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: 4.4
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • Melting Point: 235 °C
  • PSA: 41.13000
  • LogP: 5.00160

N,N'-Di-(2-bromophenyl)urea Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on N,N'-Di-(2-bromophenyl)urea

N,N'-Di-(2-bromophenyl)urea (CAS No. 175278-34-9): A Comprehensive Overview of Properties and Applications

N,N'-Di-(2-bromophenyl)urea (CAS No. 175278-34-9) is a specialized organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications. As researchers continue to explore novel urea derivatives, this particular compound stands out for its brominated aromatic components, which contribute to its distinct properties. The presence of two 2-bromophenyl groups attached to the urea moiety makes this compound particularly interesting for various pharmaceutical intermediates and material science applications.

The molecular structure of N,N'-Di-(2-bromophenyl)urea features a central urea group (-NH-CO-NH-) flanked by two brominated benzene rings. This configuration not only provides thermal stability but also offers opportunities for further chemical modifications. Recent studies in drug discovery have highlighted the importance of such halogenated compounds, as they often exhibit enhanced binding affinity to biological targets. The 2-bromo substitution pattern is particularly noteworthy, as it can influence both the compound's reactivity and its potential biological activity.

From a synthetic chemistry perspective, N,N'-Di-(2-bromophenyl)urea serves as a valuable building block for more complex molecular architectures. Its applications extend to the development of advanced materials, where researchers are investigating its potential in creating supramolecular structures and coordination polymers. The compound's ability to participate in hydrogen bonding, combined with the electronic effects of the bromine atoms, makes it a versatile candidate for molecular recognition systems and functional materials design.

In the context of current research trends, N,N'-Di-(2-bromophenyl)urea aligns with several hot topics in chemistry. The growing interest in halogen bonding in medicinal chemistry has brought renewed focus to compounds like this. Additionally, the search for novel hydrogen bond donors in catalyst design has highlighted the potential of such diarylurea derivatives. These applications are particularly relevant as the scientific community seeks more efficient and selective chemical transformations.

The physical properties of N,N'-Di-(2-bromophenyl)urea contribute significantly to its utility in various applications. Typically appearing as a white to off-white crystalline powder, this compound demonstrates moderate solubility in common organic solvents, a characteristic that facilitates its use in organic synthesis. Its melting point and thermal stability make it suitable for processes requiring elevated temperatures, which is particularly valuable in polymer chemistry and material engineering applications.

Recent advancements in computational chemistry have enabled researchers to better understand the electronic properties and potential reactivity patterns of N,N'-Di-(2-bromophenyl)urea. Molecular modeling studies suggest interesting charge distribution patterns that could be exploited in electronic materials development. This aligns with the current industry focus on organic electronics and the search for novel semiconducting materials with tailored properties.

The safety profile and handling considerations for N,N'-Di-(2-bromophenyl)urea are important aspects for researchers and industrial users. While not classified as hazardous under standard regulations, proper laboratory practices should always be followed when working with this compound. Its stability under normal conditions makes it a practical choice for various research applications, contributing to its growing popularity in academic and industrial laboratories.

Looking toward future applications, N,N'-Di-(2-bromophenyl)urea shows promise in several emerging fields. Its potential role in metal-organic frameworks (MOFs) is particularly exciting, as researchers explore new ways to create porous materials with specific functionalities. Additionally, the compound's structural features make it a candidate for investigation in molecular electronics and nanotechnology applications, areas that are receiving increasing attention in materials science.

The commercial availability and synthesis scalability of N,N'-Di-(2-bromophenyl)urea make it an attractive option for both research and potential industrial applications. As synthetic methods continue to improve, the cost-effectiveness of producing this compound has increased, opening doors to broader utilization. This is particularly relevant given the current emphasis on sustainable chemistry and the development of efficient synthetic routes for functional organic compounds.

In conclusion, N,N'-Di-(2-bromophenyl)urea (CAS No. 175278-34-9) represents an important class of urea derivatives with diverse potential applications. From its role in pharmaceutical research to its emerging applications in advanced materials, this compound continues to attract scientific interest. As research progresses, we can anticipate new discoveries that will further expand the utility of this versatile chemical building block in various scientific and industrial domains.

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