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Quaternary ammonium salt

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Identification
Molecular formula
C13H20Cl3NO
CAS number
507-75-1
IUPAC name
(5-chloro-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium;chloride
State
State

The compound is typically in a solid state at room temperature. It is generally a stable compound when handled and stored correctly.

Melting point (Celsius)
198.00
Melting point (Kelvin)
471.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
305.65g/mol
Molar mass
305.6540g/mol
Density
1.1874g/cm3
Appearence

The compound appears as a white to off-white crystalline solid, and may have a slight odor depending on its specific formulation. Due to its crystalline nature, it may exhibit a range of appearances from a fine powder to larger, more defined crystals.

Comment on solubility

Solubility of (5-chloro-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium;chloride

The solubility of (5-chloro-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium;chloride is a topic of considerable interest due to its complex chemical structure. Understanding its solubility can help in predicting its behavior in various environments, particularly in biological systems and industrial applications.

This compound can be characterized by the following solubility features:

  • The presence of a quaternary ammonium group generally increases solubility in polar solvents.
  • It may exhibit good solubility in water due to the ionic nature of the chloride component, which tends to dissociate in aqueous solutions.
  • However, the bulky ethoxy and chloroethyl moieties can also create steric hindrance, potentially affecting its solubility.

Typically, compounds with similar structures show a trend where:

  1. Increased alkyl chain length could result in decreased water solubility but enhanced solubility in organic solvents.
  2. The substituents on the aromatic ring could affect hydrogen bonding interactions, thereby influencing overall solubility.

In conclusion, while the ionic character suggests that (5-chloro-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium;chloride is likely to be soluble in water, its specific solubility will ultimately depend on the interplay of its molecular structure and the solvent used. As always, empirical testing is crucial for precise solubility data.

Interesting facts

Interesting Facts about (5-chloro-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium;chloride

This compound, known as a quaternary ammonium compound, has gained attention in various fields due to its unique properties and potential applications. Here are some fascinating insights:

  • Quaternary Structure: It features a central nitrogen atom bonded to four different groups, which is characteristic of quaternary ammonium compounds. This structure often imparts significant antimicrobial properties, making it useful in disinfectants and antiseptics.
  • Chloride Ion Interaction: The chloride ion associated with this compound allows it to form salts, making it highly soluble in polar solvents. This characteristic is particularly valuable in pharmaceutical applications, enhancing drug solubility and bioavailability.
  • Synthetic Pathways: The synthesis of this compound involves multiple steps, typically starting from an aromatic compound and incorporating ethyl and chloroethyl groups through nucleophilic substitutions. This complex synthesis reflects the compound's potential as a versatile intermediate in organic chemistry.
  • Research Applications: Studies have demonstrated that compounds with similar structures exhibit notable anti-cancer properties. Researchers are investigating its effectiveness against various cancer cell lines, aiming to understand its mechanisms of action and potential therapeutic applications.
  • Barrier Properties: Quaternary ammonium compounds, including this one, are known for their ability to disrupt microbial membranes, thereby demonstrating potential as preservatives in personal care products.

This compound serves as an excellent example of how modifying chemical structures can lead to intriguing properties and applications. The ongoing research into its biological effects highlights the importance of such compounds in both industry and academia.

Synonyms
N,N-Bis(2-chloroethyl)-3-chloro-6-ethoxybenzylamine hydrochloride
27057-92-7
2-Ethoxy-5-chlorobenzyl-bis-(beta-chloroethyl) amine hydrochloride
BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-CHLORO-6-ETHOXY-, HYDROCHLORIDE