Cas no 83054-89-1 (Benzenamine, 2,3,6-tribromo-)

Benzenamine, 2,3,6-tribromo- structure
Benzenamine, 2,3,6-tribromo- structure
Product Name:Benzenamine, 2,3,6-tribromo-
CAS No:83054-89-1
MF:C6H4Br3N
MW:329.814659118652
MDL:MFCD18399970
CID:678564
PubChem ID:13218918
Update Time:2025-11-02

Benzenamine, 2,3,6-tribromo- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2,3,6-tribromo-
    • 2,3,6-tribromoaniline
    • AMY41519
    • 83054-89-1
    • SCHEMBL11128863
    • DTXSID00529206
    • MDL: MFCD18399970
    • Inchi: 1S/C6H4Br3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
    • InChI Key: UEVXAXSPNCMQIC-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC=C(C=1N)Br)Br

Computed Properties

  • Exact Mass: 328.78734g/mol
  • Monoisotopic Mass: 326.78939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 120
  • 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: 3.3
  • Topological Polar Surface Area: 26?2

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Additional information on Benzenamine, 2,3,6-tribromo-

Benzenamine, 2,3,6-tribromo- (CAS No. 83054-89-1): A Comprehensive Overview in Modern Chemical Research

Benzenamine, 2,3,6-tribromo- (CAS No. 83054-89-1) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research due to its unique structural and functional properties. This compound, characterized by its tribrominated benzene ring and amine functional group, exhibits distinct chemical behaviors that make it a valuable intermediate in various synthetic applications. The presence of multiple bromine atoms at specific positions on the benzene ring enhances its reactivity, making it a versatile building block for more complex molecules.

The CAS No. 83054-89-1 identifier is a critical reference point for researchers and chemists working with this compound, ensuring accurate documentation and traceability in experimental protocols. The 2,3,6-tribromo substitution pattern is particularly noteworthy, as it imparts unique electronic and steric properties to the molecule. These properties are exploited in various chemical transformations, including nucleophilic aromatic substitution and cross-coupling reactions, which are fundamental to modern synthetic organic chemistry.

In recent years, the applications of Benzenamine, 2,3,6-tribromo- have expanded into emerging fields such as materials science and pharmaceutical development. The compound's ability to act as a precursor for more complex heterocyclic structures has made it a subject of interest in the synthesis of novel bioactive molecules. For instance, researchers have leveraged its reactivity to develop derivatives with potential applications in drug discovery and agrochemical formulations.

One of the most compelling aspects of Benzenamine, 2,3,6-tribromo-, particularly relevant to contemporary research trends, is its role in the development of advanced materials. The brominated aromatic ring serves as an excellent platform for designing conductive polymers and organic semiconductors. These materials are integral to the growing field of flexible electronics, where the precise control of molecular architecture is crucial for achieving desired electronic properties. The amine group further enhances the compound's utility by allowing for further functionalization through reactions such as amide bond formation and urea synthesis.

The synthesis of Benzenamine, 2,3,6-tribromo-, while not trivial, has been refined over time to achieve higher yields and purities. Modern synthetic methodologies often involve multi-step processes that begin with commercially available bromobenzene derivatives. Advanced catalytic systems have been developed to facilitate selective bromination at the desired positions on the benzene ring. These advancements have not only improved the efficiency of producing this compound but also reduced the environmental impact associated with traditional synthetic routes.

The pharmaceutical relevance of Benzenamine, 2,3,6-tribromo-, particularly its derivatives, cannot be overstated. Researchers are increasingly exploring its potential as a scaffold for new therapeutic agents due to its ability to form stable complexes with biological targets. For example, studies have demonstrated its utility in designing small-molecule inhibitors that interact with enzymes involved in metabolic pathways relevant to diseases such as cancer and inflammation. The tribrominated nature of the molecule provides a handle for further derivatization without compromising its core pharmacophoric features.

Another area where Benzenamine, 2,3,6-tribromo-, stands out is in the realm of photochemistry. The presence of bromine atoms enhances the molecule's absorption spectrum in certain regions of the electromagnetic spectrum, making it suitable for photochemical applications such as photocatalysis and photodynamic therapy. These applications leverage the compound's ability to generate reactive species under irradiation conditions that are non-toxic under normal circumstances.

In conclusion, Benzenamine (CAS No. 83054-89-1) is a multifaceted compound with significant implications across multiple domains of chemical research. Its unique structural features—specifically the 2,3,6-tribromo substitution pattern combined with an amine functional group—endow it with properties that make it indispensable in synthetic chemistry. As research continues to evolve into more sophisticated areas such as materials science and drug discovery,Benzenamine, 2,3,6, tribromo-, will undoubtedly remain at forefront due to its adaptability and versatility.

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