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Cetrimonium chloride

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Identification
Molecular formula
C21H38Cl2N2
CAS number
112-02-7
IUPAC name
(2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium;dichloride
State
State
Cetrimonium chloride is generally found in a solid state at room temperature, appearing as a white crystalline substance. However, it is also commonly used in aqueous solution form, where it appears as a colorless to pale yellow liquid.
Melting point (Celsius)
232.50
Melting point (Kelvin)
505.65
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
683.62g/mol
Molar mass
683.6200g/mol
Density
1.2838g/cm3
Appearence

Cetrimonium chloride typically appears as a white crystalline powder or can be found as white or slightly yellow granules. It is hygroscopic and can also be found in solution form, often as a colorless to pale yellow liquid. The compound may exhibit a slight odor.

Comment on solubility

Solubility Characteristics of (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium;dichloride

The solubility of (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium;dichloride can be influenced by several factors, primarily due to its complex ammonium structure and the presence of chloride ions.

In general, quaternary ammonium compounds like this one are known to exhibit the following solubility characteristics:

  • Highly soluble in water: Due to the ionic nature of the ammonium group, it tends to dissolve readily in aqueous solutions.
  • Solvent-dependent solubility: Its solubility may increase in polar organic solvents, although solubility in non-polar solvents is typically low.
  • Temperature Effects: Higher temperatures often enhance solubility, making them more efficient in formulations.

As noted in various studies, quaternary ammonium compounds like this one can interact with water molecules through electrostatic interactions, which often leads to a favorable solubility profile. However, the presence of the chlorophenyl groups may introduce steric hindrance, which could potentially affect the overall solubility depending on the concentration and the specific conditions.

In summary, while (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium;dichloride is likely to be soluble in water and some organic solvents, the exact solubility will depend on specific environmental conditions such as temperature and the nature of the solvent. Understanding these solubility dynamics is crucial for applications in fields ranging from pharmaceuticals to material sciences.

Interesting facts

Interesting Facts about (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium; dichloride

This complex compound, known as (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylammonio]heptyl]ammonium; dichloride, is notable for its multifaceted structure and versatile applications in chemical research. Here are some key points to consider:

  • Molecular Complexity: This compound features a unique combination of both ammonium groups and aromatic rings, allowing it to exhibit interesting chemical behavior.
  • Applications in Chemistry: Due to its structure, it may serve as a precursor in the synthesis of pharmaceuticals or as an agent in drug delivery systems.
  • Chlorination Influence: The presence of chlorine atoms in its structure can significantly alter its reactivity and interaction with biological systems, providing insights into how halogenated compounds behave.
  • Potential Biological Interactions: Compounds with similar structures are often investigated for their biological activity, including their effects on cellular processes and potential therapeutic benefits.
  • Research Significance: This compound is a valuable subject for studies focused on structure-activity relationships in medicinal chemistry, helping to elucidate how changes in molecular design might enhance a compound's properties.

As with many synthetic compounds, studying this ammonium dichloride not only expands our understanding of chemical interactions but also offers potential pathways for innovative applications in medicine and materials science. Thus, the integration of both chlorophenyl and ammonium functionalities introduces intriguing prospects in both organic and medicinal chemistry.

Synonyms
N,N'-Heptamethylenebis(2-chlorobenzylamine) dihydrochloride
1,7-Heptanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
N,N'-Bis(o-chlorobenzyl)heptamethylenediamine dihydrochloride
Benzylamine, N,N'-heptamethylenebis(2-chloro-, dihydrochloride
HEPTAMETHYLENEDIAMINE, N,N'-BIS(o-CHLOROBENZYL)-, DIHYDROCHLORIDE
2056-22-6