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Methyl cyano(2,2,2-trifluoro-1-methyl-ethyl) acetate

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Identification
Molecular formula
C6H6F3NO2
CAS number
690-19-3
IUPAC name
(1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate
State
State

At room temperature, (1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate is a liquid. It will remain stable under standard conditions of temperature and pressure.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
160.00
Boiling point (Kelvin)
433.15
General information
Molecular weight
157.12g/mol
Molar mass
157.1160g/mol
Density
1.2020g/cm3
Appearence

(1-Cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate is a colorless liquid with a faint sweet odor.

Comment on solubility

Solubility of (1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate

(1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate is a compound that presents interesting solubility characteristics due to its unique structure and functional groups. Its solubility can be influenced by several factors, including its polarity and the presence of fluorine atoms.

Factors Affecting Solubility

  • Polarity: The cyano group (-CN) tends to increase the polarity of the compound, which can enhance its ability to dissolve in polar solvents.
  • Fluorine Atoms: The trifluoro group imparts significant electronegativity, which can affect interactions with solvent molecules. The presence of fluorine may lead to unique solvation phenomena.
  • Hydrogen Bonding: The acetate functional group can engage in hydrogen bonding with polar solvents, potentially improving solubility.

In general, compounds like (1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate are expected to be:

  • Moderately soluble in polar solvents (e.g., water, alcohols), due to the polar nature of both the cyano and acetate groups.
  • Less soluble in non-polar solvents (e.g., hexane), as the fluorinated section may hinder compatibility with such solvents.

Therefore, one might summarize solubility behavior of this compound as polar solvent-friendly, making it quite versatile in various chemical contexts. However, precise solubility can depend on specific conditions such as temperature and concentration of solvents used.

Interesting facts

Interesting Facts about (1-Cyano-2,2,2-trifluoro-1-methyl-ethyl) Acetate

(1-Cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate is a fascinating compound that belongs to the family of esters, which are widely utilized in various applications due to their desirable properties. Here are some intriguing details about this unique compound:

  • Chemical Structure: The presence of the trifluoromethyl group (-CF3) significantly enhances the compound's stability and lipophilicity, making it an excellent candidate for various synthetic applications.
  • Versatile Applications: This compound has notable uses in organic synthesis, particularly as a building block in the manufacture of agrochemicals, pharmaceuticals, and specialty chemicals.
  • Functional Groups: The cyano group (-CN) introduces unique reactivity, often facilitating nucleophilic additions and other reactions that are invaluable in synthetic organic chemistry.
  • Fluorinated Compounds: The trifluoromethyl group is known for imparting unique properties to molecules, such as increased permeability and metabolic stability, which can be beneficial in drug design.
  • Environmental Considerations: As with many fluorinated compounds, there is ongoing research into understanding the environmental impact and sustainability of such chemicals, especially regarding their persistence in nature.

In summary, (1-cyano-2,2,2-trifluoro-1-methyl-ethyl) acetate showcases the incredible diversity found in the world of chemical compounds. Its unique structural elements allow chemists to explore novel pathways in synthetic chemistry, potentially leading to the creation of innovative materials and products. As we continue to delve deeper into the applications and implications of this compound, the balance between technological advancement and environmental responsibility remains a pivotal consideration for the future.

Synonyms
2-cyano-1,1,1-trifluoropropan-2-yl acetate
27827-87-8
DTXSID40950499
RefChem:1062879
DTXCID901378657
4588-51-6
3,3,3-Trifluoro-2-methyllactonitrile acetate
(2-cyano-1,1,1-trifluoropropan-2-yl) acetate
Acetic acid 1-cyano-2,2,2-trifluoro-1-methylethyl ester
1-CYANO-2,2,2-TRIFLUORO-1-METHYLETHYL ACETATE
BRN 2085954
2-Methyl-3,3,3-trifluorolactonitrile acetate
BRN 1779852
2-Acetoxy-2-methyl-3,3,3-trifluoropropionitrile
Lactonitrile, 2-methyl-3,3,3-trifluoro-, acetate
Propionitrile, 2-hydroxy-2-methyl-3,3,3-trifluoro-, acetate
ACETIC ACID, 1-CYANO-2,2,2-TRIFLUORO-1-METHYLETHYL ESTER
4-03-00-00796 (Beilstein Handbook Reference)
SCHEMBL3959078
SYJSGYHJKLGFQT-UHFFFAOYSA-N
DB-208203