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3-(Trichloromethylthio)-1,3-benzoxazol-2(3H)-one

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Identification
Molecular formula
C8H4Cl3NO2S
CAS number
20098-89-1
IUPAC name
3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
State
State

This compound is a solid at room temperature. Due to its relatively high melting point, it remains stable as a solid under normal conditions and does not transition into a liquid state until heated significantly.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.15
Boiling point (Celsius)
280.00
Boiling point (Kelvin)
553.15
General information
Molecular weight
276.57g/mol
Molar mass
276.5650g/mol
Density
1.7200g/cm3
Appearence

The compound typically appears as a crystalline solid with a yellowish hue. It's noteworthy that this type of compound might exhibit some degree of polymorphism, which can slightly affect its appearance.

Comment on solubility

Solubility of 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one

The solubility of 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one can be quite intriguing due to its unique structure. As a compound that contains a trichloromethyl functional group and a benzoxazole ring, its solubility characteristics can vary significantly depending on the solvent used. Here are some key points to consider:

  • Solvent Polarity: This compound is likely to be more soluble in polar solvents due to the presence of electronegative atoms in the benzoxazole structure, which can interact favorably with polar solvent molecules.
  • Hydrophobic versus Hydrophilic: The trichloromethyl group is hydrophobic and may reduce overall solubility in water, suggesting it could be more soluble in organic solvents such as dimethyl sulfoxide (DMSO) or acetone.
  • Potential Crystallization: Its crystalline nature could also indicate limited solubility at lower temperatures, emphasizing the importance of temperature in determining solubility.

In laboratory settings, it’s essential to test the solubility of this compound in various solvents to ascertain its behavior in different chemical environments. Therefore, carrying out solubility tests in both polar and non-polar solvents can provide comprehensive insights into its practical applications and utility.

Interesting facts

3-(Trichloromethylsulfanyl)-1,3-benzoxazol-2-one

3-(Trichloromethylsulfanyl)-1,3-benzoxazol-2-one is an intriguing chemical compound known for its unique structural features and diverse applications in various fields. Here are some captivating facts about this compound:

  • Versatile Applications: This compound is often utilized in agriculture as a potential fungicide, helping to protect crops from fungal infections.
  • Fluorescent Properties: It is noted for exhibiting strong fluorescence, which can be harnessed in various optical applications such as sensors and imaging techniques.
  • Bioactivity: Research has indicated that compounds related to benzoxazoles, like this one, may possess anti-inflammatory and analgesic properties.
  • Synthetic Pathways: The synthesis of this compound involves the reaction of trichloromethyl sulfide with suitable benzoxazole derivatives, showcasing the versatility of synthetic organic chemistry.
  • Research Interest: Due to its functional groups and structure, it is of keen interest in medicinal chemistry, where it serves as a scaffold for developing new pharmaceutical agents.

In summary, 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one is more than just a compound; it embodies the intersection of chemistry, agriculture, and medicinal research. As quoted by scientists, "The unique properties of compounds like this one are the keys to unlocking new innovations and solutions." The potential of this compound continues to inspire ongoing research and development in multiple scientific domains.

Synonyms
3-Trichloromethylthiobenzoxazolone
RP 11650
3567-72-4
2-BENZOXAZOLINONE, 3-((TRICHLOROMETHYL)THIO)-
11.650 R.P.
2-Benzoxazolinone, 3-[(trichloromethyl)thio]-
2(3H)-Benzoxazolone, 3-((trichloromethyl)thio)-
2(3H)-Benzoxazolone, 3-[(trichloromethyl)thio]-
NSC 35916
BRN 1215305
3-((Trichloromethyl)thio)-2-benzoxazolinone
SCHEMBL1882350
WLN: T56 BNVOJ BSXGGG
DTXSID50189177
NSC35916
NSC-35916