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4-Thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate

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Identification
Molecular formula
C12H7BrN2O2S
CAS number
35665-46-4
IUPAC name
4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate
State
State

At room temperature, 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate is a solid. It is mainly used in chemical research and is often handled under controlled laboratory conditions.

Melting point (Celsius)
137.00
Melting point (Kelvin)
410.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
326.18g/mol
Molar mass
326.1770g/mol
Density
1.5200g/cm3
Appearence

4-Thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate typically appears as a white to off-white crystalline solid. It is sparingly soluble in water but generally more soluble in organic solvents.

Comment on solubility

Solubility of 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate

The solubility of 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate can be examined from several angles, though precise solubility data may be limited. Here are some key points to consider:

  • Polar vs. Nonpolar: The presence of the thiocyanate group (–SCN) and the carbamate moiety (–NHCOO) suggests that the compound may exhibit polar characteristics, potentially enhancing its solubility in polar solvents.
  • Solvent Preference: Compounds with aromatic rings, like the 4-bromophenyl group, often dissolve better in organic solvents such as acetone, ethanol, or DMSO rather than in water due to hydrophobic interactions.
  • Temperature Dependence: Solubility may vary with temperature, typically increasing with heat. Thus, conducting experiments at different temperatures could yield varying results.
  • pH Influence: As with many carbamate-containing compounds, the pH of the solution can impact solubility, particularly if protonation or deprotonation occurs at certain pH levels.

In summary: While specific solubility data for 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate may not be readily available, its potential solubility in polar organic solvents is promising. Researchers are encouraged to conduct solubility tests to characterize this compound in various solvent systems.

Interesting facts

Interesting Facts about 4-Thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate

4-Thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate is an intriguing compound that has captured the attention of chemists due to its unique structure and properties. Here are some notable facts:

  • Dual Functionality: This compound features both a thiocyanate group and a carbamate moiety, making it a versatile candidate in organic synthesis and medicinal chemistry.
  • Biological Applications: Certain thiocyanate derivatives are known for their antimicrobial and antiviral properties. Research is ongoing to explore the potential therapeutic uses of this compound in treating various diseases.
  • Mechanistic Insights: The reaction mechanisms involving thiocyanates can provide valuable information for understanding nucleophilic substitution reactions, thus enhancing our knowledge of reaction pathways.
  • Environmental Impact: As a potential pesticide, the environmental ramifications of its use are being studied. Understanding the breakdown products and their interactions in ecosystems is crucial for developing sustainable agricultural practices.
  • Research Potential: The structural characteristics of this compound invite further investigation into its physical and chemical properties, potentially leading to the discovery of new derivatives with enhanced activity.

This compound is a fascinating piece of molecular architecture that demonstrates how subtle changes in chemical structure can lead to diverse biological and environmental implications. The study of 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate exemplifies the intersection of organic chemistry and real-world applications.

Synonyms
14223-12-2
BRN 3060453
4-Thiocyanato-2-butynyl p-bromocarbanilate
CARBANILIC ACID, p-BROMO-, 4-THIOCYANATO-2-BUTYNYL ESTER
p-Bromocarbanilic acid 4-thiocyanato-2-butynyl ester
DTXSID30161976
DTXCID7084467
4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate
N-(p-Bromophenyl)carbamic acid 4-thiocyanato-2-butynyl ester