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Bromoxynil

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Identification
Molecular formula
C7H3BrCl2NO
CAS number
1689-84-5
IUPAC name
2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate
State
State

At room temperature, Bromoxynil typically exists as a solid. When it is formulated as its phenol derivative, it appears as a colorless to light brown crystalline solid.

Melting point (Celsius)
64.00
Melting point (Kelvin)
337.15
Boiling point (Celsius)
132.00
Boiling point (Kelvin)
405.15
General information
Molecular weight
356.94g/mol
Molar mass
356.9440g/mol
Density
1.6700g/cm3
Appearence

Bromoxynil is generally found as a white crystalline solid. It is often marketed in its phenol form and may appear as an off-white powder depending on the specific formulation and its purity.

Comment on solubility

Solubility of 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate

The solubility of this compound can be influenced by several factors, primarily its molecular structure and functional groups. Here are some important points to consider:

  • Polarity: The presence of polar functional groups such as the sulfonamide fragment may enhance solubility in polar solvents.
  • Hydrophobic Regions: The multiple aromatic rings and halogen substitutions can lead to significant hydrophobic characteristics, potentially decreasing solubility in water.
  • Solvent Compatibility: Given its complex structure, it may exhibit variable solubility across different solvents, commonly found in organic solvents such as ethanol or acetone.

As with many chemical compounds, intermolecular interactions play a critical role. The competition between hydrophilic and hydrophobic interactions will ultimately govern the solubility performance of this compound. For instance, stronger interactions with solvents can enhance solubility, whereas competitive hydrophobic interactions might lead to precipitation in aqueous solutions.

In conclusion, a detailed solubility profile could be elucidated through specific experimental conditions, but you would likely expect it to behave unpredictably due to its structural complexity.

Interesting facts

Interesting Facts about 2-[(2,2-Dichloroacetyl)-[(4-Methylsulfonylphenyl)methyl]amino]ethyl 2-Bromoacetate

2-[(2,2-Dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate is a fascinating compound poised at the intersection of organic synthesis and pharmaceutical research. Here are some engaging insights:

  • Pharmaceutical Potential: This compound's structure suggests it may hold promise in the development of novel therapeutic agents, particularly due to the presence of halogen substituents which can enhance biological activity.
  • Complex Synthesis: The synthesis of this molecule highlights the intricate nature of organic chemistry. It involves multiple steps including the formation of amides and ester linkages, showcasing the creativity and precision of chemists.
  • Functional Groups: With functional groups like bromo and chloro moieties, this compound may engage in various chemical reactions such as nucleophilic substitutions, making it versatile in further synthetic applications.
  • Environmental Considerations: The use of dichloroacetyl groups brings attention to the need for understanding the environmental impact and the safety of halogenated compounds, emphasizing responsible chemical practice.
  • Structure-Activity Relationship (SAR): The various substituents present in the compound provide an excellent platform for SAR studies, which help in understanding how changes in chemical structure affect biological activity.

As research continues to evolve, compounds like 2-[(2,2-Dichloroacetyl)-[(4-Methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate remind us of the intricacies of molecular design that can lead to significant advancements in medicinal chemistry.

Synonyms
3785-28-2
Acetic acid, bromo-, 2-((dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl ester
2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate
Acetic acid, 2-bromo-, 2-[(2,2-dichloroacetyl)[[4-(methylsulfonyl)phenyl]methyl]amino]ethyl ester
M & B 6163
BRN 2782901
2,2-Dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)acetamide bromoacetate (ester)
DTXSID60191281
AKOS040750082