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6-Bromo-5-chloro-1,3-benzoxazol-2-one

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Identification
Molecular formula
C7H3BrClNO2
CAS number
216663-15-9
IUPAC name
6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
State
State

At room temperature, 6-Bromo-5-chloro-3H-1,3-benzoxazol-2-one is a solid. This state is quite stable and maintains its form under typical laboratory conditions.

Melting point (Celsius)
72.00
Melting point (Kelvin)
345.15
Boiling point (Celsius)
291.00
Boiling point (Kelvin)
564.15
General information
Molecular weight
264.46g/mol
Molar mass
264.4580g/mol
Density
2.2231g/cm3
Appearence

The compound 6-Bromo-5-chloro-3H-1,3-benzoxazol-2-one generally appears as a crystalline solid. It has a pale yellow or off-white color, which is typical for many aromatic halogenated compounds. The crystalline form may vary in size and shape depending on the specific crystallization method used.

Comment on solubility

Solubility of 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one

The solubility of 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one is an intriguing topic, as it reflects the compound's chemical structure and interactions with solvents. Here are some key points to consider:

  • Polarity: The presence of halogen substituents (bromo and chloro groups) can influence the overall polarity of the compound. Generally, increased polarity enhances solubility in polar solvents.
  • Solvent Compatibility: 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one is expected to exhibit varying solubility in:
    • Polar solvents: Water and alcohols may dissolve this compound to some extent due to potential hydrogen bonding.
    • Non-polar solvents: Hydrocarbons and ethers may also allow for partial solubility owing to the aromatic character of the benzoxazole moiety.
  • Temperature Dependence: Like many organic compounds, solubility can be temperature-dependent, often increasing with higher temperatures.
  • pH Influence: Changes in pH can modify the ionization of functional groups, subsequently affecting solubility in aqueous environments.

In conclusion, while the solubility of 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one is not extensively documented, it is likely influenced by a combination of its structural characteristics and the nature of solvents. As always, experimental determination is the best approach to ascertain precise solubility metrics.

Interesting facts

Interesting Facts About 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one

6-bromo-5-chloro-3H-1,3-benzoxazol-2-one is a fascinating compound that belongs to the class of benzoxazoles, which are known for their diverse range of biological activities and applications in medicinal chemistry. Here are some engaging facts about this compound:

  • Pharmacological Potential: Compounds in the benzoxazole class, including this one, often exhibit significant antimicrobial, anti-inflammatory, and anticancer properties. Research continues into their potential as therapeutic agents.
  • Structural Uniqueness: The combination of bromine and chlorine substituents at specific positions on the benzoxazole ring contributes to the compound's unique reactivity and interactions in biochemical pathways.
  • Applications in Dye Chemistry: Due to its electronic properties, this compound can also find applications in dye chemistry and fluorescence materials, making it relevant in organic electronics.
  • Synthetic Versatility: The synthesis of 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one can be an interesting challenge for chemists, involving various synthetic routes, such as introducing halogen substituents through electrophilic aromatic substitution reactions.
  • Environmental Relevance: The study of similar benzoxazole derivatives has implications in understanding environmental pollutants, as the benzoxazole structure can be a precursor in the degradation processes of certain organic pollutants.

This compound encapsulates a blend of chemical intrigue and potential applications that inspires both research and innovation in various scientific fields. As ongoing studies unravel its properties and interactions, 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one may prove to be a valuable addition to the arsenal of compounds used in developing new pharmaceuticals and materials.

Synonyms
Bromchlorenone
5579-85-1
Bromchlorenonum
Bromclorenona
6-Bromo-5-chlorobenzoxazolone
NSC-24970
6-Bromo-5-chloro-2-benzoxazolinone
2(3H)-Benzoxazolone, 6-bromo-5-chloro-
Bromchlorenone [USAN:INN]
Bromchlorenonum [INN-Latin]
Bromclorenona [INN-Spanish]
NSC 24970
2-BENZOXAZOLINONE, 6-BROMO-5-CHLORO-
EINECS 226-967-0
BRN 0645274
NSC24970
A221572SK5
BROMCHLORENONE [INN]
BROMCHLORENONE [USAN]
DTXSID70204356
Bromchlorenonum (INN-Latin)
Bromclorenona (INN-Spanish)
DTXCID70126847
226-967-0
6-bromo-5-chlorobenzo[d]oxazol-2(3H)-one
Vinyzene
6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
MLS002639028
WLN: T56 BMVOJ GE HG
UNII-A221572SK5
MFCD00047213
Bromchlorenone(USAN)
Bromchlorenone (USAN/INN)
Oprea1_775828
SCHEMBL637478
CHEMBL1876589
CHEBI:229914
HMS3093B23
AKOS022530524
DS-3297
SMR001548484
3H-Benzooxazol-2-one, 6-bromo-5-chloro-
DB-169810
CS-0038236
NS00033396
2-Benzoxazolinone,6-bromo-5-chloro- (8CI)
6-Bromo-5-chloro-1,3-benzoxazol-2(3H)-one
D03161
O11552
2(3H)-Benzoxazolone,6-bromo-5-chloro- (9CI)
6-Bromo-5-chloro-1,3-benzoxazol-2(3H)-one #
SR-01000390597
SR-01000390597-1
Q27273518