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5-Bromo-3H-1,3-benzoxazol-2-one

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Identification
Molecular formula
C7H4BrNO2
CAS number
4233-33-4
IUPAC name
5-bromo-3H-1,3-benzoxazol-2-one
State
State

At room temperature, 5-bromo-3H-1,3-benzoxazol-2-one is typically found in a solid state. It is usually in the form of a crystalline powder, which can vary in appearance, often white or off-white.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
214.01g/mol
Molar mass
214.0050g/mol
Density
1.8000g/cm3
Appearence

The compound appears as a solid, typically crystalline in form, and may range in color from white to off-white. The specific crystalline form can vary based on the synthetic method used.

Comment on solubility

Solubility of 5-bromo-3H-1,3-benzoxazol-2-one

The solubility of 5-bromo-3H-1,3-benzoxazol-2-one in various solvents can provide valuable insights into its chemical behavior and potential applications. Here are some key points regarding its solubility:

  • Polar Solvents: This compound exhibits limited solubility in polar solvents such as water due to its aromatic structure and the presence of bromine, which can hinder hydrogen bonding.
  • Non-polar Solvents: It tends to dissolve more readily in non-polar solvents like toluene or chloroform, where intermolecular forces are less of a barrier.
  • Solvent Interactions: The solubility is influenced by the solvent’s ability to interact with the compound's functional groups. In this case, the benzoxazole ring may establish some level of π-π stacking interactions in organic solvents.

"Solubility is not just about how much of a substance will dissolve; it reflects the substance's interactions with its environment." This statement emphasizes the complex nature of solubility, which can be affected by temperature, pressure, and concentration.

In conclusion, the solubility profile of 5-bromo-3H-1,3-benzoxazol-2-one suggests it may be more compatible in non-polar environments; however, specific experimental data would provide the most accurate characterization of its solubility in various solvents.

Interesting facts

Interesting Facts About 5-Bromo-3H-1,3-benzoxazol-2-one

5-Bromo-3H-1,3-benzoxazol-2-one, often abbreviated for convenience, is a fascinating compound with a variety of applications and properties that make it noteworthy in the fields of chemistry and pharmaceuticals.

Key Characteristics:

  • Unique Structure: This compound features a benzoxazole ring, which is crucial for its biological activity. The addition of a bromine atom at the 5-position enhances its reactivity and application potential.
  • Pharmaceutical Relevance: Compounds like 5-Bromo-3H-1,3-benzoxazol-2-one are often explored for their antimicrobial, anti-inflammatory, and antitumor properties. Research indicates that it exhibits promising bioactivity in these areas.
  • Fluorescence Properties: One interesting aspect of this compound is its ability to fluoresce. This property is exploited in various analytical techniques, making it valuable for research and synthetic applications.
  • Environmental Stability: Its stable structure allows for various reactions and transformations, making it an appealing target for synthetic chemists.

Applications:

5-Bromo-3H-1,3-benzoxazol-2-one finds its applications in several domains:

  • Used as a building block in organic synthesis.
  • Investigated for potential use in drug development.
  • Employed in fluorescent labeling and imaging studies.

Research Insights:

Scientists are continually exploring the full scope of this compound's capabilities. As one researcher noted, "The inclusion of halogens like bromine in organic compounds often leads to enhanced biological activities." This principle applies significantly to 5-bromo-3H-1,3-benzoxazol-2-one.

In summary, 5-Bromo-3H-1,3-benzoxazol-2-one is not just another compound; it represents the intersection of organic chemistry and medicinal potential, making it a subject of ongoing study and interest in the scientific community.

Synonyms
5-Bromo-2-benzoxazolinone
2-BENZOXAZOLINONE, 5-BROMO-
BRN 0136259
DTXSID50163679
4-27-00-02684 (Beilstein Handbook Reference)
DTXCID1086170
626-861-8
14733-73-4
5-BROMOBENZO[D]OXAZOL-2(3H)-ONE
2(3H)-Benzoxazolone, 5-bromo-
5-bromo-3H-1,3-benzoxazol-2-one
5-bromo-1,3-benzoxazol-2(3H)-one
MFCD01664246
5-bromo-2,3-dihydro-1,3-benzoxazol-2-one
5-Bromobenzoxazol-2(3H)-one
5-bromo benzoxazolinone
5-Bromo-2-benzoxazolone
5-Bromo-2-hydroxybenzoxazole
SCHEMBL289867
5-bromo-3H-benzooxazol-2-one
SCHEMBL5545895
SCHEMBL28367357
SCHEMBL29507017
DMHTZWJRUUOALC-UHFFFAOYSA-N
5-Bromo-2-benzoxazolinone, 97%
ALBB-019950
5-bromo-benzo[d]oxazol-2(3H)-one
STL301787
AKOS000264992
5-BROMO-2-BENZOXAZOLINONE 97
DS-18245
SY038495
DB-029072
B4438
CS-0042122
EN300-94597
Z979488024