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Benzethonium chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
82-44-0
IUPAC name
6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
State
State

At room temperature, Benzethonium chloride is typically found in a solid state. It is commonly available as a crystalline powder.

Melting point (Celsius)
163.50
Melting point (Kelvin)
436.65
Boiling point (Celsius)
335.50
Boiling point (Kelvin)
608.65
General information
Molecular weight
443.46g/mol
Molar mass
443.4600g/mol
Density
1.4200g/cm3
Appearence

The compound appears as a white to off-white crystalline powder. It is usually odorless or might have a slight aromatic odor. Its crystalline nature allows it to refract light, giving it a distinct sheen.

Comment on solubility

Solubility of 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine

The solubility of 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine can be influenced by several factors. This compound has a complex structure, which may result in distinct solubility characteristics in various solvents. Here are some key points to consider regarding its solubility:

  • Polarity: Due to the presence of a chloroethyl group, the compound is likely to have polar characteristics that can enhance its solubility in polar solvents.
  • Solvent Compatibility: It may exhibit good solubility in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), while displaying limited solubility in non-polar solvents.
  • Concentration Limits: The compound's solubility can vary significantly depending on temperature and concentration, necessitating experimental determination for precise values.
  • Hydrogen Bonding: The molecular structure might allow for hydrogen bonding, potentially affecting solubility in specific solvent systems.

In summary, the solubility of 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine is intricately linked to its polar characteristics and molecular interactions with various solvents. Careful consideration of these factors is essential when determining its practical applications and behaviors in different environments.

Interesting facts

Interesting Facts about 6-(2-Chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine

This compound, known for its intricate structure, belongs to a diverse class of chemical compounds that exhibit unique properties and potential applications. Here are some fascinating insights:

  • Pharmacological Significance: Compounds similar to this one are often studied for their biological activities, particularly in the field of medicinal chemistry. They may have applications as potential anticancer agents or in treating other diseases.
  • Synthetic Pathways: The synthesis of 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine involves multiple steps. Chemists may use various techniques such as cyclization and functional group modifications to achieve the desired structure.
  • Structural Complexity: The structure features a fused ring system, making it intriguing from a stereochemical perspective. Such structures can lead to interesting stereoisomerism, influencing the compound's reactivity and biological activity.
  • Research Opportunities: This compound’s unique chemical characteristics make it a subject of ongoing research. Scientists are investigating its mechanisms of action and potential interactions with biological targets, with the goal of uncovering new therapeutic avenues.
  • Environmental Considerations: The use of chlorinated compounds can raise environmental concerns, emphasizing the importance of studying their toxicity and biodegradability to ensure safe application in any field.

In conclusion, 6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine serves not only as an interesting compound from a chemical standpoint but also opens doors to potential advancements in drug discovery and understanding of complex molecular interactions.

Synonyms
28312-77-8
KLT1E83V8R
6H-DIBENZ(c,g)AZONINE, 5,7,12,13-TETRAHYDRO-6-(2-CHLOROETHYL)-
NSC 184809
BRN 1653826
UNII-KLT1E83V8R
NSC-184809
6-(2-Chloroethyl)-5,7,12,13-tetrahydro-6H-dibenz(c,g)azonine
DTXSID60182558
5,7,12,13-Tetrahydro-6-(2-chloroethyl)6H-dibenz(c,g)azonine
5H-Dibenz(c,g)azonine, 6-(2-chloroethyl)-6,7,12,13-tetrahydro-
RefChem:198823
DTXCID00105049
5H-Dibenz(c,g)azonine, 6-(2-chloroethyl)-6,7,12,13-tetrahydro-(8CI)
5H-Dibenz(c,g)azonine, 6-(2-chloroethyl)-6,7,12,13-tetrahydro-(8CI)(9CI)
NSC184809
5,7,12,13-Tetrahydro-6-(2-chloroethyl)-6H-dibenz[c,g]azonine
5H-Dibenz[c, 6-(2-chloroethyl)-6,7,12,13-tetrahydro-
6H-Dibenz[c, 5,7,12,13-tetrahydro-6-(2-chloroethyl)-