Cas no 1360438-57-8 (6-Bromo-2,4-dichloro-3-fluoroaniline)

6-Bromo-2,4-dichloro-3-fluoroaniline is a halogenated aniline derivative with a distinct substitution pattern, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its structure, featuring bromo, chloro, and fluoro substituents, offers selective reactivity for further functionalization, particularly in cross-coupling reactions and heterocycle formation. The compound's high purity and stability under standard conditions ensure consistent performance in research and industrial processes. Its versatility makes it useful in the development of agrochemicals, dyes, and active pharmaceutical ingredients (APIs), where precise halogen placement is critical for desired properties. Proper handling is advised due to its potential reactivity.
6-Bromo-2,4-dichloro-3-fluoroaniline structure
1360438-57-8 structure
Product Name:6-Bromo-2,4-dichloro-3-fluoroaniline
CAS No:1360438-57-8
MF:C6H3BrCl2FN
MW:258.903122186661
MDL:MFCD11520111
CID:2108098
Update Time:2025-05-25

6-Bromo-2,4-dichloro-3-fluoroaniline Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-2,4-dichloro-3-fluoroaniline
    • STL555908
    • BBL102109
    • MDL: MFCD11520111
    • Inchi: 1S/C6H3BrCl2FN/c7-2-1-3(8)5(10)4(9)6(2)11/h1H,11H2
    • InChI Key: BMJSXDVLJRTVSG-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C(=C1N)Cl)F)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • Topological Polar Surface Area: 26

Experimental Properties

  • Density: 1.903±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 283.8±35.0 oC (760 Torr),
  • Flash Point: 125.4±25.9 oC,
  • Solubility: Insuluble (8.8E-3 g/L) (25 oC),

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Additional information on 6-Bromo-2,4-dichloro-3-fluoroaniline

Professional Introduction to Compound with CAS No. 1360438-57-8 and Product Name: 6-Bromo-2,4-dichloro-3-fluoroaniline

6-Bromo-2,4-dichloro-3-fluoroaniline is a fluorinated aromatic amine derivative that has garnered significant attention in the field of pharmaceutical chemistry and materials science due to its versatile structural framework and potential biological activities. This compound, identified by the CAS number 1360438-57-8, belongs to a class of molecules that exhibit a unique combination of halogen substituents, which can influence its reactivity and interaction with biological targets. The presence of bromine, chlorine, and fluorine atoms in specific positions on the benzene ring makes this compound a valuable intermediate in the synthesis of more complex molecules.

The synthesis of 6-Bromo-2,4-dichloro-3-fluoroaniline involves a series of well-established organic reactions, including halogenation and nucleophilic substitution. The precise arrangement of the halogen atoms is critical for achieving the desired properties, as it can affect both the electronic distribution and steric hindrance around the aromatic ring. Recent advances in synthetic methodologies have enabled more efficient and selective routes to this compound, reducing side reactions and improving yields.

In the realm of pharmaceutical research, 6-Bromo-2,4-dichloro-3-fluoroaniline has been explored as a precursor for various biologically active agents. Its structural features make it a promising candidate for developing compounds with potential applications in treating inflammatory diseases, infectious disorders, and even certain types of cancer. The fluorine atom, in particular, is known to enhance metabolic stability and binding affinity in drug molecules, making it a highly sought-after moiety in medicinal chemistry.

Recent studies have highlighted the utility of 6-Bromo-2,4-dichloro-3-fluoroaniline in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is often associated with various diseases. By modifying the structure of 6-Bromo-2,4-dichloro-3-fluoroaniline, researchers have been able to design molecules that selectively inhibit specific kinases, thereby offering new therapeutic strategies. For instance, derivatives of this compound have shown promise in preclinical trials for their ability to block aberrant signaling pathways involved in tumor growth.

The impact of fluorine substitution on the pharmacokinetic properties of drug candidates cannot be overstated. Fluorinated aromatic compounds often exhibit improved bioavailability and longer half-lives due to their enhanced lipophilicity and resistance to metabolic degradation. This has led to increased interest in 6-Bromo-2,4-dichloro-3-fluoroaniline as a building block for next-generation pharmaceuticals. Furthermore, computational modeling techniques have been employed to optimize the structure of these derivatives for better pharmacological outcomes.

Beyond pharmaceutical applications, 6-Bromo-2,4-dichloro-3-fluoroaniline has found utility in materials science. Its ability to act as a ligand or intermediate in catalytic processes has been explored for developing novel materials with enhanced electronic properties. For example, it has been used in the synthesis of organic semiconductors and conductive polymers, where its halogenated structure contributes to improved charge transport capabilities.

The growing demand for specialized chemical intermediates like 6-Bromo-2,4-dichloro-3-fluoroaniline has prompted advancements in green chemistry principles. Researchers are increasingly focusing on sustainable synthetic routes that minimize waste and reduce environmental impact. Innovations such as flow chemistry and biocatalysis have been integrated into the production process of this compound, aligning with global efforts to promote eco-friendly chemical manufacturing.

In conclusion,6-Bromo-2,4-dichloro-3-fluoroaniline (CAS No. 1360438-57-8) represents a significant compound with broad applications across multiple scientific disciplines. Its unique structural features make it an invaluable tool for drug discovery and material development. As research continues to uncover new methodologies and applications for this molecule,its importance is likely to grow further,driving innovation in both academia and industry.

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