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3-Isothiocyanatopropanenitrile

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Identification
Molecular formula
C4H4N2S
CAS number
16641-55-3
IUPAC name
3-isothiocyanatopropanenitrile
State
State

At room temperature, 3-isothiocyanatopropanenitrile is in a liquid state. Due to its reactive groups (especially the isothiocyanate group), it should be handled with care, as it may easily react with moisture or other chemicals in the environment.

Melting point (Celsius)
-25.00
Melting point (Kelvin)
248.15
Boiling point (Celsius)
175.00
Boiling point (Kelvin)
448.15
General information
Molecular weight
112.17g/mol
Molar mass
112.1720g/mol
Density
1.1520g/cm3
Appearence

3-Isothiocyanatopropanenitrile typically appears as a colorless to pale yellow liquid. It may have a distinct odor associated with isothiocyanates, which is often described as pungent or acrid. The compound is often handled in a controlled environment due to its reactive nature.

Comment on solubility

Solubility of 3-isothiocyanatopropanenitrile

3-isothiocyanatopropanenitrile, a compound with both isothiocyanate and nitrile functional groups, demonstrates some intriguing solubility characteristics. This compound is known for being:

  • Soluble in polar solvents: Given its polar nature due to the presence of the nitrile group, 3-isothiocyanatopropanenitrile is generally soluble in substances like water and alcohols.
  • Moderately soluble in non-polar solvents: While it has polar characteristics, its hydrocarbon chain allows for some solubility in non-polar solvents, though to a lesser extent.
  • Influenced by temperature: As with many chemical compounds, solubility can increase with temperature, allowing for greater dissolution in higher temperature environments.

As a result, it is important to consider these factors when working with 3-isothiocyanatopropanenitrile:

  • The specific solvent used can lead to varying levels of solubility.
  • Environmental conditions like temperature can significantly enhance solubility.

In summary, while 3-isothiocyanatopropanenitrile demonstrates promising solubility in a variety of solvents, the exact nature of its dissolution warrants careful consideration during application in chemical processes. As one might say, “Understanding solubility is key to unlocking the potential of chemical compounds.”

Interesting facts

Interesting Facts about 3-Isothiocyanatopropanenitrile

3-Isothiocyanatopropanenitrile is a fascinating compound within the realm of organic chemistry, particularly due to its unique structural features and potential applications. Here are some notable aspects:

  • Functional Groups: This compound contains both isothiocyanate and nitrile functional groups, which give it a rich reactivity profile. The presence of these groups often allows it to participate in a variety of chemical reactions, leading to complex molecule formation.
  • Biological Activity: Compounds containing isothiocyanate groups are known for their biological activity. They can exhibit antimicrobial, anticancer, and anti-inflammatory properties, making 3-isothiocyanatopropanenitrile a candidate for further research in pharmaceutical applications.
  • Synthesis: The synthesis of 3-isothiocyanatopropanenitrile can be achieved through straightforward methods, typically involving the reaction of a primary amine with thiophosgene or through the reaction of dithiocarbamate salts. This makes it accessible for laboratory studies.
  • Applications: Beyond its biological implications, this compound can also be useful in materials science and the development of agrochemicals. Its reactivity can be harnessed to create novel compounds with specific properties.
  • Research Potential: The dual functionality of this compound creates an exciting opportunity for chemists to explore new synthetic pathways and to study how its unique structure influences biological activity. As research continues, we may unveil new uses that this compound can provide.

In summary, 3-isothiocyanatopropanenitrile is a compound boasting important biological properties and interesting reactivity due to its functional groups. Its potential in drug development and as a precursor for various organic reactions makes it an exciting subject of ongoing research.

Synonyms
2-Cyanoethyl isothiocyanate
18967-32-3
ISOTHIOCYANIC ACID, 2-CYANOETHYL ESTER
BRN 1701175
DTXSID40172376
4-04-00-02556 (Beilstein Handbook Reference)
DTXCID0094867
3-isothiocyanatopropanenitrile
Propanenitrile, 3-isothiocyanato-
SCHEMBL7094937
NLXGQEJKDMXLBG-UHFFFAOYSA-N
G46803
EN300-6732873