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Bromobenzothiophene ammonium chloride

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Identification
Molecular formula
C11H13BrClNS
CAS number
.6558-29-4
IUPAC name
2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium;chloride
State
State

At room temperature, this compound is in a solid state. It is stable under normal conditions of use and storage, but care should be taken to avoid exposure to high temperatures to prevent decomposition.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
294.70g/mol
Molar mass
294.6950g/mol
Density
1.5678g/cm3
Appearence

The compound appears as a crystalline powder that is typically white to off-white in color. The presence of the bromine atom can sometimes give it a very slight yellowish hue under certain conditions, but it primarily remains a pale-colored solid.

Comment on solubility

Solubility of 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium;chloride

The solubility of 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium chloride is influenced by various factors inherent to both its structure and its chemical interactions with solvents. Here are some key points to consider:

  • Polar Nature: The compound contains a quaternary ammonium group, which is likely to impart a certain level of polarity to the molecule. This can generally enhance its solubility in polar solvents like water.
  • Halogen Substitution: The presence of the bromine atom can also affect solubility. Halogens typically introduce additional van der Waals forces, which may alter how well the compound interacts with solvents.
  • Hydrophobic Interaction: The benzothiophene moiety contributes hydrophobic characteristics, which could limit solubility in purely polar solvents.
  • Solvent Choices: Solubility might improve significantly in mixed solvents or those containing both polar and non-polar characteristics, such as alcohols or dimethyl sulfoxide (DMSO).

In conclusion, while 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium chloride exhibits several attributes that suggest good solubility in polar environments, the presence of hydrophobic regions will likely require careful consideration of solvent choice during practical applications. It embodies a complex balance of interactions that makes its solubility a subject of interest.

Interesting facts

Interesting Facts about 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium;chloride

This unique compound is a fascinating subject of study in the world of organic and medicinal chemistry. Here are some key highlights:

  • Structural Characteristics: The presence of a benzothiophene structure in the compound provides interesting electronic and optical properties that scientists find appealing. The addition of a bromine atom enhances its reactivity and broadens its potential applications.
  • Applications in Medicine: Compounds with similar structures often exhibit biological activity. Benzothiophenes have been researched for their role in pharmaceuticals as potential anticancer agents and can also be involved in neuroprotective applications.
  • Role of Ammonium Ion: The ammonium component introduces quaternary nitrogen, increasing solubility in polar solvents and making it particularly useful in formulations for drug delivery systems.
  • Ion Pair Properties: Given its combination with chloride, this compound can engage in ion pair interactions, which can influence its behavior in biological systems as well as its transport across cell membranes.

Reactivity and Synthesis

The synthesis of 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium;chloride often involves nuanced reaction pathways that can include:

  1. Halogenation of benzothiophene derivatives.
  2. Alkylation reactions leading to the formation of quaternary ammonium salts.
  3. Utilizing various coupling reactions, which highlight the compound's versatility in synthetic chemistry.

Research Potential

The study of this compound opens doors to exploring:

  • Novel Therapeutics: Investigation into its potential as a treatment for various diseases.
  • Material Science: Exploring its utility in developing new materials with desired electrical or optical properties.
  • Environmental Chemistry: Understanding its degradation products and environmental impact.

As research continues, 2-(5-bromobenzothiophen-3-yl)ethyl-methyl-ammonium;chloride stands as a testament to the rich interplay between chemical structure and function, showcasing the endless possibilities within the realm of chemical compounds.

Synonyms
5-Bromo-N-methylbenzo(b)thiophene-3-ethylamine, hydrochloride
22964-02-9
BENZO(b)THIOPHENE-3-ETHYLAMINE, 5-BROMO-N-METHYL-, HYDROCHLORIDE
RefChem:1078827