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Chlorhexidine

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Identification
Molecular formula
C22H30Cl2N10
CAS number
55-56-1
IUPAC name
1-[[4-amino-6-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2,2-trichloro-ethanol
State
State

At room temperature, chlorhexidine exists as a solid in the form of a crystalline powder. It's utilized in various forms, often dissolved in alcohol or water to create solutions or creams.

Melting point (Celsius)
134.00
Melting point (Kelvin)
407.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
505.44g/mol
Molar mass
505.4400g/mol
Density
1.5500g/cm3
Appearence

Chlorhexidine is typically a white or pale yellow crystalline powder. It is slightly soluble in water and organic solvents, but more soluble in alcohol and glycols which are often used as solvents in its various formulations.

Comment on solubility

Solubility of 1-[[4-amino-6-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2,2-trichloro-ethanol

The solubility of 1-[[4-amino-6-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2,2-trichloro-ethanol can be understood through several key aspects:

  • Polarity: The presence of multiple chlorine atoms and amine groups in its structure suggests that the compound may exhibit a level of polarity, which could potentially affect its solubility in polar solvents.
  • Hydroxyl Group: The hydroxyl group (-OH) in the compound can contribute to hydrogen bonding, making it more soluble in water and other polar solvents.
  • Hydrophobic Regions: However, the trichloroethyl groups can introduce hydrophobic characteristics, which may limit its solubility in very polar environments.

Considering these factors, it is likely that:

  1. The compound might be more soluble in organic solvents compared to strictly polar solvents due to the hydrophobic influence.
  2. It could also exhibit variable solubility depending on the pH of the surrounding medium, which would affect its protonation state and therefore its interaction with solvents.

In conclusion, while the solubility of this compound is influenced by its complex structure, it would generally be expected to reside somewhere between polar and non-polar solubility profiles, demonstrating traits from both categories.

Interesting facts

Interesting Facts about 1-[[4-amino-6-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2,2-trichloro-ethanol

This unique compound, commonly known in agricultural chemistry, represents a significant class of triazine derivatives. It is particularly noteworthy for its application as a herbicide, contributing to enhanced agricultural productivity by effectively controlling weed growth. Below are some interesting facts that highlight its importance:

  • Mechanism of Action: This compound operates by inhibiting photosynthesis in plants, specifically targeting the chloroplasts, which disrupts the natural balance of energy production and leads to the eventual death of the weed.
  • Environmental Impact: Due to its stability, the persistence of compounds like this in the environment has led to discussions about their long-term ecological effects. Understanding their breakdown products is crucial for assessing their overall safety.
  • Structure-Activity Relationship (SAR): The presence of the trichloroethyl group plays a vital role in enhancing the herbicidal activity of the compound. This emphasizes the importance of molecular design in developing effective agrochemicals.
  • Resistance Management: As with many agrochemical compounds, there is a critical need to manage resistance in target species. Developing integrated pest management strategies that include rotational use with other herbicides is essential.
  • Regulatory Aspects: The use of such compounds is highly regulated across different countries, with agencies like the EPA in the United States overseeing their approval based on safety assessments for humans and wildlife.

In summary, 1-[[4-amino-6-[(2,2,2-trichloro-1-hydroxy-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2,2-trichloro-ethanol not only showcases the complexity of synthetic organic compounds, but also represents the broader challenges and responsibilities associated with advances in agricultural science. As noted by many researchers, "the power of chemistry in agriculture must be balanced with our commitment to the environment."

Synonyms
2797-59-3
1,1'-(6-AMINO-1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)BIS(2,2,2-TRICHLOROETHANOL)
653-848-4
1,1'-((6-Amino-1,3,5-triazine-2,4-diyl)bis(azanediyl))bis(2,2,2-trichloroethanol)
SCHEMBL11128176
KSWAAUWXVSYKCI-UHFFFAOYSA-N
AKOS024430210
N,N'-bis(1-hydroxy-2,2,2-trichloroethyl) melamine