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Benzethonium chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
121-54-0
IUPAC name
benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium;dichloride
State
State

At room temperature, Benzethonium chloride is in a solid state, either as a fine powder or in small crystalline flakes. It is highly stable in this form.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.00
Boiling point (Celsius)
305.00
Boiling point (Kelvin)
578.00
General information
Molecular weight
448.54g/mol
Molar mass
448.5350g/mol
Density
0.8550g/cm3
Appearence

Benzethonium chloride is a white, crystalline powder with no odor. It is typically supplied as solid flakes or fine powder. It is highly soluble in water and alcohols, forming clear solutions.

Comment on solubility

Solubility of Benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium; Dichloride

The solubility of benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium; dichloride is an intriguing aspect of its chemical behavior. This compound, due to its quaternary ammonium structure, often exhibits distinctive solubility characteristics:

  • Water Solubility: Generally, quaternary ammonium compounds tend to be soluble in water because of their ionic nature. The presence of chloride ions can enhance this solubility.
  • Solvent Diversity: In addition to water, it may also dissolve well in organic solvents, especially those with polar characteristics.
  • Temperature Effects: Solubility can vary significantly with temperature. An increase in temperature often leads to higher solubility.
  • pH Influence: The solubility can also be influenced by the pH of the solution, where more acidic or alkaline conditions may affect the ionization state of the compound.

In summary, the solubility of this compound showcases how ionic interactions and the molecular structure contribute to its behavior in different solvents. It is important to note that, as with many quaternary ammonium compounds, individual solubility can vary based on environmental conditions and solution composition.

Interesting facts

Interesting Facts about Benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium; Dichloride

Benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium; dichloride, commonly referred to in research contexts, is a fascinating compound with a variety of applications and properties that pique the interest of scientists and students alike. Here are some notable aspects:

  • Structural Versatility: This compound represents a combination of ammonium functionalities and benzyl groups which contribute to its chemical reactivity and versatility. The potential for structural modification opens up avenues for creating derivatives tailored for specific applications.
  • Biological Activity: The presence of the 2-chloroethyl moiety suggests interesting interactions with biological systems. Compounds with similar structures have shown antimicrobial and anticancer properties, making this compound a subject of extensive research in medicinal chemistry.
  • Applications in Drug Development: Due to its unique structure, it can serve as a lead compound in drug discovery, particularly in targeting systems involved in cellular signaling or transportation mechanisms.
  • Research Significance: Scientists often use it as a model to study the behavior of quaternary ammonium compounds, which have implications in fields ranging from pharmacology to materials science.
  • Environmental Considerations: The synthesis and use of this compound also urge researchers to consider the environmental impact of chlorinated solvents and to drive research towards greener chemistry practices.

Through exploring compounds like benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium; dichloride, students and scientists can delve into the complexities of molecular interactions, synthetic strategies, and applications in various scientific fields. Furthermore, it serves as a reminder of the continuous need for innovation in developing new materials and therapeutic agents.

Synonyms
NSC 63029
N,N'-Tetramethylenebis(N-(2-chloroethyl)benzylamine) dihydrochloride
N,N'-Bis(2-chloroethyl)-1,4-dibenzylamino-butane dihydrochloride
BENZYLAMINE, N,N'-TETRAMETHYLENEBIS(N-(2-CHLOROETHYL)-, DIHYDROCHLORIDE
1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-bis(phenylmethyl)-, dihydrochloride
6952-18-7
1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-bis(phenylmethyl)-, dihydrochloride (9CI)