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Benzalkonium chloride

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Identification
Molecular formula
C6H5CH(OH)C2H3N(CH3)2Cl
CAS number
8001-54-5
IUPAC name
[5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride
State
State

Benzalkonium chloride is typically found as a solid powder or gel but is most often utilized in a liquid solution form at room temperature. It is known for its efficacy as a disinfectant and preservative in personal care products and industrial applications.

Melting point (Celsius)
400.00
Melting point (Kelvin)
673.15
Boiling point (Celsius)
196.00
Boiling point (Kelvin)
469.15
General information
Molecular weight
339.03g/mol
Molar mass
339.0250g/mol
Density
1.2000g/cm3
Appearence

Benzalkonium chloride appears as a white or pale yellow powder or gel. In solution, it is usually clear, colorless to pale yellow, and it is often used in aqueous form as a disinfectant or antiseptic.

Comment on solubility

Solubility of [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride

The solubility of the compound [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride can largely depend on several key factors, including its structural characteristics and chemical environment. Generally, solubility can be assessed by considering the following:

  • Polarity: The presence of charged ammonium groups typically suggests higher solubility in polar solvents like water due to ionic interactions.
  • Hydrophilic Factors: The hydroxy groups within the structure enhance hydrogen bonding capabilities with water molecules, leading to increased solubility.
  • Hydrophobic Regions: The phenyl unit may introduce some hydrophobic character which can impact overall solubility, especially in non-polar solvents.

Due to these factors, it is often observed that:

  1. Solubility is generally higher in acetone and DMF compared to hexane or benzene.
  2. As the temperature increases, solubility in aqueous solutions can also increase due to enhanced kinetic activity.

In summary, while [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride demonstrates a tendency towards solubility in polar environments, the exact solubility characteristics can be influenced by its multifaceted structure and the surrounding medium.

Interesting facts

Interesting Facts about [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride

This fascinating compound, often referred to as a quaternary ammonium salt, is notable not only for its structural complexity but also for its multifaceted applications in various scientific fields. Below are some intriguing aspects of this compound:

  • Biological Significance: Compounds similar to this one have been researched for their potential biological activity, showcasing properties such as antimicrobial, antifungal, and even anticancer effects. This opens a myriad of possibilities in medicinal chemistry.
  • Role as a Quaternary Ammonium Compound: Being a quaternary ammonium compound, it possesses unique properties such as surfactant and emulsifying capabilities, which make it invaluable in the formulation of various pharmaceutical and cosmetic products.
  • Structure-Activity Relationship (SAR): The intricate structure—characterized by the presence of both hydroxy and benzofuran functional groups—suggests a rich area for exploring the structure-activity relationships. Research in this area could yield insights into how modifications affect biological activity.
  • Research Applications: Its complex functionalities make it a compound of interest for pharmaceutical research, particularly in drug design and development. Scientists can manipulate its structure to enhance efficacy or reduce toxicity.
  • Environmental Implications: The presence of quaternary ammonium salts in the environment raises questions about biodegradability and ecological impact, sparking discussions about sustainable practices in chemistry.

In summary, this compound represents a prime example of the intersection between organic chemistry and pharmacology. As researchers delve deeper into its properties and applications, it's clear that compounds like [5-hydroxy-3-[hydroxy(phenyl)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium;chloride can provide both challenges and opportunities. As noted by chemist Dr. Jane Holloway, "The beauty of chemistry lies in its complexity and its ability to impact nearly every aspect of our lives."

Synonyms
29540-35-0
RefChem:1067356
3-Benzofuranmethanol, 4-((dimethylamino)methyl)-5-hydroxy-alpha-phenyl-, hydrochloride (1:1)
5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(alpha-HYDROXYBENZYL)-, HYDROCHLORIDE
4-Dimethylaminomethyl-5-hydroxy-3-(alpha-hydroxy)benzylbenzofuran hydrochloride