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Methyl 4,4-dinitrobutanoate

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Identification
Molecular formula
C5H8N2O6
CAS number
1946-42-3
IUPAC name
methyl 4,4-dinitrobutanoate
State
State

At room temperature, methyl 4,4-dinitrobutanoate is typically in a liquid state.

Melting point (Celsius)
15.00
Melting point (Kelvin)
288.15
Boiling point (Celsius)
247.50
Boiling point (Kelvin)
520.65
General information
Molecular weight
179.13g/mol
Molar mass
179.1310g/mol
Density
1.3490g/cm3
Appearence

Methyl 4,4-dinitrobutanoate typically appears as a colorless to pale yellow liquid. The compound is stable under normal conditions but should be stored away from sources of heat or ignition due to its nitrate ester content, which can lead to explosive decomposition under extreme conditions.

Comment on solubility

Solubility of Methyl 4,4-Dinitrobutanoate

Methyl 4,4-dinitrobutanoate, with the chemical formula C8H12N2O6, exhibits interesting solubility characteristics primarily due to its significant functional groups. Understanding the solubility of this compound involves several factors:

  • Polarity: The presence of nitro groups (-NO2) contributes to the overall polarity of the molecule, generally enhancing its solubility in polar solvents.
  • Solvent Compatibility: This compound is likely to be soluble in organic solvents such as ethanol or acetone due to both polar and non-polar characteristics, but it may have limited solubility in water.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvents will also affect its solubility. Nitro groups can act as hydrogen bond acceptors, which may increase solubility in alcohols.

However, the specific solubility of methyl 4,4-dinitrobutanoate can vary based on temperature and the nature of the solvent employed. It is essential to conduct practical solubility tests for precise applications. As a general guideline, one might consider the solubility behavior as follows:

  1. Good solubility
  2. Moderate to poor solubility
  3. Limited solubility

In conclusion, while methyl 4,4-dinitrobutanoate demonstrates favorable solubility in select organic solvents, its behavior in aqueous environments remains less favorable, underscoring the importance of choosing the right solvent for its applications.

Interesting facts

Interesting Facts about Methyl 4,4-Dinitrobutanoate

Methyl 4,4-dinitrobutanoate is a fascinating chemical compound known for its unique properties and applications in various fields of chemistry and industry. Here are some intriguing points about this compound:

  • Structure & Functionality: The presence of both a methyl ester group and two nitro groups gives this compound interesting reactivity and steric properties. This unique structure allows it to participate in a variety of chemical reactions, making it a valuable synthetic intermediate.
  • Applications: Methyl 4,4-dinitrobutanoate has potential applications in organic synthesis, especially in the development of pharmaceuticals and agrochemicals. It serves as a precursor to more complex molecules, often used in research and development.
  • Explosives Research: Due to its dinitro groups, which are characteristic of many high-energy compounds, this molecule has garnered attention in explosives research. Its energetic properties make it a point of interest in the study of new materials with enhanced performance.
  • Environmental Considerations: As with many nitro compounds, methyl 4,4-dinitrobutanoate may pose environmental risks if not handled appropriately. Scientists emphasize the importance of careful management and disposal to prevent soil and water contamination.
  • Interdisciplinary Research: The study of methyl 4,4-dinitrobutanoate often intersects various fields, including synthetic organic chemistry, environmental science, and materials engineering. This cross-disciplinary nature enhances its significance in modern scientific research.

In conclusion, methyl 4,4-dinitrobutanoate is more than just a chemical formula—its unique characteristics and diverse applications make it a noteworthy compound in the realm of chemical sciences. As researchers continue to explore its potential, we can anticipate new discoveries that may arise from this intriguing molecule.

Synonyms
methyl 4,4-dinitrobutanoate
4,4-Dinitrobutyric acid methyl ester
18913-74-1
BUTYRIC ACID, 4,4-DINITRO-, METHYL ESTER
NSC-76711
NSC 76711
BRN 1793613
C776KP2DWG
4-02-00-00841 (Beilstein Handbook Reference)
methylgamma,gamma-dinitrobutyrate
DTXSID30940425
NSC76711
Butanoic acid, 4,4-dinitro-, methyl ester
DS-010624