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Cyanuric chloride derivative

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Identification
Molecular formula
C15H21Cl3N4
CAS number
73009-45-3
IUPAC name
3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile
State
State

The compound is solid at room temperature. As with many triazine derivatives, it may become volatile at high temperatures, and it should be handled in a well-ventilated area or under a fume hood to avoid inhalation of any vapors.

Melting point (Celsius)
112.50
Melting point (Kelvin)
385.65
Boiling point (Celsius)
356.20
Boiling point (Kelvin)
629.35
General information
Molecular weight
332.63g/mol
Molar mass
332.6300g/mol
Density
1.3600g/cm3
Appearence

This compound is a solid at room temperature. The appearance can vary depending on the specific formulation and purity, but as a triazine derivative, it may appear as a white to light tan crystalline powder.

Comment on solubility

Solubility of 3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile

The solubility of 3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile can be influenced by its unique molecular structure, which incorporates various functional groups and a significant number of chlorinated carbons. Here are some considerations regarding its solubility:

  • Hydrophobic Character: The presence of the pentyl and trichloromethyl groups suggests a strong hydrophobic character. This generally leads to low solubility in polar solvents like water.
  • Potential Solvents: The compound is more likely to dissolve in organic solvents such as ethanol, dimethyl sulfoxide (DMSO), or acetone. These solvents can accommodate the hydrophobic parts of the molecule better than water.
  • Impact of Substituents: The triazine moiety can provide some polar character, which might enhance solubility in specific conditions, particularly in polar aprotic solvents.

In summary, while 3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile is expected to have limited solubility in water due to its hydrophobic characteristics, alternative solvents may offer better compatibility. As always, empirical testing is essential to determine the precise solubility behavior in various mediums.

Interesting facts

Interesting Facts about 3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile

This compound, known for its complex structure and unique properties, embodies a fascinating combination of triazine chemistry and nitrile functionality. Here are some compelling points to consider:

  • Innovative Applications: The molecule's triazine core is a structural motif that has been extensively investigated for use in agrochemicals, particularly as herbicides or fungicides. Its effectiveness stems from its ability to interact with biological systems.
  • Multifunctional Character: The presence of both the triazine group and the propylamine chain makes this compound particularly interesting for research in materials science, where it can potentially serve as a building block for polymers or other functional materials.
  • Ecotoxicology Studies: Given its chemical properties, studies often focus on the environmental impact of triazines. The trichloromethyl group raises questions about toxicity and degradation pathways in ecosystems, making it a subject of ecotoxicological investigations.
  • Pharmacological Potential: Some derivatives of triazine compounds have been explored for medicinal properties, including their potential as anticancer agents. This opens up avenues for research in pharmaceutical applications.
  • Reaction Pathways: The synthesis of this compound can serve as an excellent case study for students learning about nucleophilic substitutions and the reactivity of nitriles in organic synthesis, allowing for a deeper understanding of reaction mechanisms.

Overall, 3-[[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]-propyl-amino]propanenitrile represents a rich intersection of chemistry and practical application, highlighting the importance of triazine compounds in various fields of research.