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3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one

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Identification
Molecular formula
C10H7BrClNO2
CAS number
71502-23-5
IUPAC name
3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one
State
State
Solid at room temperature, this compound often comes as crystalline powder or flakes and should be handled with care to avoid exposure to moisture and air.
Melting point (Celsius)
148.90
Melting point (Kelvin)
422.05
Boiling point (Celsius)
344.50
Boiling point (Kelvin)
617.65
General information
Molecular weight
288.52g/mol
Molar mass
288.5110g/mol
Density
1.6380g/cm3
Appearence

This compound is typically observed as a solid in its pure form. The color can range from off-white to pale yellow, and it generally appears crystalline.

Comment on solubility

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

The solubility of 3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one is an intriguing subject, given its unique structure and functional groups. This compound presents several factors that influence its solubility, including:

  • Polarity: The presence of halogens (bromo and chloro) can enhance polarity, which usually increases solubility in polar solvents.
  • Hydrophobic vs Hydrophilic Balance: The allyl group contributes a hydrophobic nature, which can reduce solubility in water.
  • Intramolecular Interactions: Potential hydrogen bonding or dipole-dipole interactions can play a role in interactions with the solvent.

Generally, this compound is expected to exhibit:

  • A moderate solubility in polar organic solvents such as dimethyl sulfoxide (DMSO) and acetone.
  • Limited solubility in water due to its overall hydrophobic character stemming from the aromatic ring and allyl group.
  • Potential solubility variations depending on the temperature and the presence of co-solvents.

In summary, understanding the solubility of 3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one is crucial for its application in various fields, particularly in organic synthesis and pharmaceutical sciences. Its solubility behavior can be affected by many environmental and structural factors, making solubility studies essential for predicting its behavior in different conditions.

Interesting facts

Exploring 3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one

3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one is a fascinating compound that belongs to the class of benzoxazoles, which are known for their diverse pharmacological activities. This particular compound has garnered attention in the field of organic chemistry due to several intriguing attributes:

  • Structure and Functionality: The benzoxazole ring system is notable for its ability to function as a chromophore, which makes it particularly interesting in the study of photochemical reactions and fluorescence.
  • Biological Implications: Compounds with similar structures have demonstrated various biological activities, including antimicrobial, antifungal, and anti-inflammatory properties. Thus, studying this compound could potentially lead to discoveries in medicinal chemistry.
  • Reactive Substituents: The presence of bromine and chlorine atoms provides unique reactivity that can be exploited in further synthetic applications. These halogens are known to influence the chemical behavior and stability of the compound, making it a significant subject for further research.
  • Versatile Applications: Beyond pharmaceuticals, benzoxazole derivatives have shown promise in agricultural chemistry, where they may be used as agrochemicals. This opens avenues for research into their efficiency as pesticides or herbicides.

In summary, the study of 3-allyl-6-bromo-5-chloro-1,3-benzoxazol-2-one represents a rich interplay of chemistry, biology, and practical applications. As *Albert Einstein* once said, “The important thing is not to stop questioning. Curiosity has its own reason for existence.” By delving deeper into the characteristics and applications of this compound, chemists can fuel innovation and discover new solutions to pressing global challenges.

Synonyms
20844-82-0
BRN 1116810
2-BENZOXAZOLINONE, 3-ALLYL-6-BROMO-5-CHLORO-
3-Allyl-6-bromo-5-chloro-2-benzoxazolinone
DTXSID90174961
DTXCID5097452
RefChem:256421
DB-315087
3-Allyl -6-bromo-5-chlorobenzoxazol -2(3h)-one