4-Bromo-3-phenyl-1,2,4-oxadiazol-5-one

Identification

Molecular formula

C₈H₅BrN₂O₂

CAS number

84251-42-3

IUPAC name

4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one

State

At room temperature, 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one is generally found in a solid state. It is stable under normal conditions and should be handled with care to avoid degradation or reactions with incompatible substances.

Melting point (Celsius)

120.00

Melting point (Kelvin)

393.15

Boiling point (Celsius)

235.00

Boiling point (Kelvin)

508.15

General information

Molecular weight

241.03g/mol

Molar mass

241.0290g/mol

Density

1.7000g/cm³

Appearence

4-Bromo-3-phenyl-2H-oxadiazol-3-ium-5-one typically appears as a crystalline solid with a pale yellow to off-white color. It is often observed in powder form and can exhibit a shiny or transparent appearance depending on its purity and crystal form.

Comment on solubility

Solubility of 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one

The solubility of 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one (C₈H₅BrN₂O₂) is influenced by several factors, making it an intriguing compound to study. Here are some key points regarding its solubility:

Polarity: The presence of polar functional groups, such as the oxadiazolium moiety, enhances its solubility in polar solvents.
Hydrogen Bonding: The ability of the compound to form hydrogen bonds can also affect its solubility in water and other polar solvents.
Solvent Effects: It is expected to have varying solubility in organic solvents. For instance, it may dissolve better in solvents like DMF (Dimethylformamide) and DMSO (Dimethyl sulfoxide) compared to non-polar solvents.

It is generally noted that:

In aqueous solutions: The solubility may be limited due to the molecular structure that may hinder hydration.
In organic solvents: Increased solubility can be anticipated, particularly in those that can stabilize the compound's molecular structure.

In summary, the solubility of 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one is multifaceted, influenced by its structural components and the solvent's nature. Further investigation into its solubility can yield valuable insights, as stated, "Understanding solubility is crucial in predicting compound behavior in various chemical environments."

Interesting facts

Interesting Facts about 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one

The compound 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one is a fascinating member of the oxadiazole family, which is renowned for its diverse chemical properties and biological activities. Here are some captivating insights about this compound:

Chemistry and Structure: This compound features nitrogen and oxygen within a five-membered ring structure, characteristic of oxadiazoles, contributing to its intriguing chemical behavior and facilitating various reactions.
Biological Significance: Like other oxadiazoles, it is of considerable interest in medicinal chemistry due to potential applications in anti-inflammatory, antimicrobial, and anticancer activities, making it a subject of intensive research.
Substituents Matter: The presence of the bromine atom and the phenyl group in its structure can significantly alter the compound's reactivity and properties, allowing for the creation of derivatives with enhanced biological activities.
Research Applications: Scientists utilize compounds like this in various research applications, including material science, where they can serve as precursors for creating novel polymers, dyes, and sensors.
Insightful Studies: Various studies often explore the *structure-activity relationship* (SAR) of oxadiazole derivatives, leading to discoveries that could pave the way for new pharmaceuticals.

In summary, 4-bromo-3-phenyl-2H-oxadiazol-3-ium-5-one is more than just a chemical formula; it represents a realm of possibilities in both synthetic and medicinal chemistry. Its unique structure, coupled with its potential biological effects, makes it an essential subject of study for chemists and researchers alike.

Synonyms

4-Bromo-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate #