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Bromacil

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Identification
Molecular formula
C9H13BrN2O2
CAS number
314-40-9
IUPAC name
1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
State
State

Bromacil is typically a solid at room temperature. Its white crystalline structure makes it easily identifiable and is used in its solid form for agricultural applications as a herbicide.

Melting point (Celsius)
158.50
Melting point (Kelvin)
431.60
Boiling point (Celsius)
380.00
Boiling point (Kelvin)
653.00
General information
Molecular weight
261.07g/mol
Molar mass
261.0770g/mol
Density
1.5200g/cm3
Appearence

Bromacil is a white crystalline solid. It is often available in the form of powder as a technical-grade substance for use in various applications. The compound is sparingly soluble in water, with a solubility of about 815 mg/L at 20°C.

Comment on solubility

Solubility Insights for 1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea

The solubility of the compound 1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea (C9H13BrN2O2) can be influenced by several factors, making its evaluation critical in various chemical applications. Here are some important considerations:

  • Polarity: The presence of polar functional groups such as hydroxyl (–OH) and urea (–NH2CONH2) enhances the compound's ability to interact with polar solvents like water.
  • Hydrophobic Interactions: The aromatic and bromo substituents can create hydrophobic regions, which may affect solubility in non-polar solvents.
  • Solvent Choice: The solubility is likely to vary dramatically across different solvents; it may show better solubility in organic solvents compared to aqueous environments. Solvents such as dimethyl sulfoxide (DMSO) or ethanol might facilitate better dissolution.
  • pH Sensitivity: The interaction of the compound with solvent pH could also play a role in its solubility, especially if the compound exhibits ionizable groups.

In essence, understanding the solubility of this compound is not straightforward and hinges on a careful examination of its structural characteristics and the nature of the solvent. As highlighted by a popular quote in chemistry, "Solubility is the key to chemical harmony!" This emphasizes the vital role of solubility in achieving desired chemical interactions and reactions.

Interesting facts

Interesting Facts about 1-(5-Bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea

This compound, with its complex structure, showcases the fascinating intersection of pharmacology and organic chemistry. Here are some intriguing insights:

  • Versatile Applications: Compounds like this one are often investigated for their potential as pharmaceuticals, especially in targeting various diseases due to their unique chemical properties.
  • Structural Complexity: The presence of both bromine and fluorine atoms introduces a unique electronegative aspect to the molecule, significantly influencing its biological activity and interactions with other compounds.
  • Dual Functionality: The incorporation of a pyridine ring and a cyclopropyl group provides this compound with a dual functionality, enhancing its potential for binding to multiple biological targets.
  • Research Significance: Scientific studies often focus on compounds like this due to their implications in medicinal chemistry, particularly in the development of new therapeutic agents with improved efficacy and reduced side effects.
  • Mechanism of Action: Understanding how such compounds interact at the molecular level can lead to breakthroughs in treatment methods, as they can often modulate enzymatic pathways crucial for disease progression.

Overall, the intricate design of 1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea not only reflects the creativity inherent in synthetic chemistry but also highlights the ongoing quest for innovative solutions in drug discovery. Scientists continue to explore the vast realm of such compounds, pushing the boundaries of what is possible in the fight against various ailments.

Synonyms
CHEMBL134026
SCHEMBL6099357
N-(5-Bromo(2-pyridyl))((2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl)amino)formamide
1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea