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Methyl 3-chloro-4-fluorobutanoate

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Identification
Molecular formula
C5H8ClFO2
CAS number
705-15-7
IUPAC name
methyl 3-chloro-4-fluoro-butanoate
State
State

At room temperature, methyl 3-chloro-4-fluorobutanoate exists as a liquid. It is volatile and must be handled with care, typically under controlled conditions in a laboratory environment.

Melting point (Celsius)
-45.00
Melting point (Kelvin)
228.15
Boiling point (Celsius)
147.00
Boiling point (Kelvin)
420.15
General information
Molecular weight
152.57g/mol
Molar mass
152.5670g/mol
Density
1.2140g/cm3
Appearence

Methyl 3-chloro-4-fluorobutanoate is a colorless liquid with a slight ester-like scent. It is typically used in organic synthesis and is notable for its clear, transparent appearance.

Comment on solubility

Solubility of Methyl 3-Chloro-4-Fluoro-Butanoate

Methyl 3-chloro-4-fluoro-butanoate has a unique structure that influences its solubility properties. Understanding solubility is crucial for applications in synthesis, formulation, and biological interaction. Here are some important points to consider:

  • Polar Nature: The presence of the chlorine and fluorine substituents introduces polarity, which may enhance the compound's ability to interact with polar solvents.
  • Solvent Compatibility: Methyl 3-chloro-4-fluoro-butanoate is expected to be soluble in organic solvents such as alcohols, ethers, and acetone. This can be attributed to similar polar characteristics among these solvents.
  • Low Solubility in Water: Due to its relatively large hydrophobic butyl group, the solubility in water may be limited. It is generally assumed that alkyl esters may display lower water solubility compared to their polar counterparts.
  • Temperature Influence: Solubility can also be influenced by temperature, with increased temperatures usually leading to higher solubility of organic compounds.
  • Applications Consideration: Understanding the solubility profile of methyl 3-chloro-4-fluoro-butanoate is essential for its use in pharmaceuticals and agricultural chemicals, where solvent interactions may play a critical role.

In summary, while methyl 3-chloro-4-fluoro-butanoate may be soluble in various organic solvents, its water solubility may be limited due to the impact of its structural components. Thus, selecting the right solvent for its application is crucial for maximizing its effectiveness.

Interesting facts

Interesting Facts about Methyl 3-Chloro-4-Fluoro-Butanoate

Methyl 3-chloro-4-fluoro-butanoate is a fascinating compound that showcases the intricate world of organic chemistry. Here are some intriguing details about this compound:

  • Versatile Intermediate: This compound serves as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure allows for a broad range of chemical reactions.
  • Synthesized by: It can be effectively synthesized through a process called nucleophilic substitution, where substitutions on the carbon skeleton enable the introduction of diverse functional groups.
  • Fluorine's Impact: The incorporation of fluorine in organic molecules often results in enhanced bioactivity and metabolic stability. This makes methyl 3-chloro-4-fluoro-butanoate particularly interesting for drug design, as fluorine substituents can modulate the properties of potential drugs.
  • Application in Research: Researchers are exploring its potential applications not just in medicine but also in fields such as materials science and agrochemistry, illustrating the compound's versatility.
  • Environment and Safety: As with many halogenated compounds, understanding its environmental impact and ensuring safe handling are crucial considerations in both research and commercial applications.

As a student or researcher, recognizing the significance of compounds like methyl 3-chloro-4-fluoro-butanoate enriches one’s understanding of how chemical structures influence activity and highlights the importance of sustainability in chemical processes.

In summary, this compound is not just a series of atoms but a bridge to innovative scientific endeavors, bringing with it a plethora of possibilities for exploration.

Synonyms
541-86-6
3-Chloro-4-fluorobutanoic acid methyl ester
3-CHLORO-4-FLUORO-BUTYRIC ACID METHYL ESTER
methyl 3-chloro-4-fluorobutanoate
Methyl beta-chloro-gamma-fluorobutyrate
BRN 1753583
BUTYRIC ACID, 3-CHLORO-4-FLUORO-, METHYL ESTER
3-02-00-00627 (Beilstein Handbook Reference)
DTXSID00968974