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4-Isothiocyanatobenzonitrile

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Identification
Molecular formula
C8H4N2S
CAS number
2719-33-1
IUPAC name
4-isothiocyanatobenzonitrile
State
State
4-Isothiocyanatobenzonitrile is typically in a solid state at room temperature.
Melting point (Celsius)
64.00
Melting point (Kelvin)
337.15
Boiling point (Celsius)
312.00
Boiling point (Kelvin)
585.15
General information
Molecular weight
160.20g/mol
Molar mass
160.1950g/mol
Density
1.3140g/cm3
Appearence

4-Isothiocyanatobenzonitrile is a white to yellowish crystalline powder. Its appearance may vary slightly based on the specific batch or purity of the chemical, but it is generally solid and crystalline at room temperature.

Comment on solubility

Solubility of 4-Isothiocyanatobenzonitrile

The solubility of 4-isothiocyanatobenzonitrile (C8H6N2S) can be generally characterized as follows:

  • Solvent Compatibility: It shows reasonable solubility in organic solvents such as dimethyl sulfoxide (DMSO) and ethanol, aiding its application in various chemical processes.
  • User Consideration: When working with this compound, it is essential to consider its solubility limits as they can impact reaction efficiencies.
  • Polar vs. Nonpolar: 4-isothiocyanatobenzonitrile is more soluble in polar solvents compared to nonpolar ones, reflecting its molecular interactions.

To quote the general principle regarding solubility: "Like dissolves like." This means that the chemical's polar characteristics will favor its solubility in polar solvents. Thus, understanding the solubility of 4-isothiocyanatobenzonitrile is crucial for optimizing its use in synthetic chemistry and industrial applications.

In summary, while this compound exhibits solubility in certain organic solvents, it's paramount to conduct solubility tests in the intended media to ensure optimal results in practical applications.

Interesting facts

Interesting Facts about 4-Isothiocyanatobenzonitrile

4-Isothiocyanatobenzonitrile, also known as benzothiocyanic acid phenylamide, is a fascinating compound with unique properties and applications. Here are some intriguing insights into this particular chemical:

  • Structure and Functionality: This compound features an isothiocyanate functional group attached to a benzene ring, which contributes to its reactivity and potential applications in various syntheses.
  • Biological Activity: 4-Isothiocyanatobenzonitrile has garnered attention in the field of medicinal chemistry. Research suggests that it may possess antimicrobial and anticancer properties, making it a subject of investigation for developing new therapeutic agents.
  • Use in Synthesis: It serves as a building block in organic synthesis, allowing chemists to construct complex molecules. This functionality makes it valuable in the synthesis of pharmaceutical compounds and agrochemicals.
  • Role in Research: The compound is often studied for its ability to act as a *nucleophile* in various chemical reactions, including thiocyanate exchanges. Its chemical behavior provides insights into the reactivity of isothiocyanates in organic reactions.
  • Sustainability Perspective: Certain derivatives of isothiocyanates are being explored for use as environmentally friendly pesticides. This could significantly contribute to sustainable agricultural practices.

As you delve deeper into the study of 4-isothiocyanatobenzonitrile, you may find yourself captivated by the myriad ways in which this compound plays a role in both scientific research and practical applications. Its significance extends beyond the laboratory, resonating in the fields of medicine, agriculture, and materials science.

Synonyms
4-Cyanophenyl isothiocyanate
4-Isothiocyanatobenzonitrile
Benzonitrile, 4-isothiocyanato-
4-Isothiocyanatobenzenenitrile
EINECS 220-323-2
BRN 2802621
DTXSID3062609
3-14-00-01135 (Beilstein Handbook Reference)
DTXCID7037634
220-323-2
dzfkaxlnkzxnhd-uhfffaoysa-n
inchi=1/c8h4n2s/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4
2719-32-6
p-Cyanophenyl isothiocyanate
4-cyanophenylisothiocyanate
Benzenenitrile, 4-isothiocyanato-
MFCD00041085
ISOTHIOCYANIC ACID, p-CYANOPHENYL ESTER
4-Cyanophenyl isothiocyanate, 98%
4-isothiocyanato-benzonitrile
4cyanophenyl isothiocyanate
K6GTB9PD9U
SCHEMBL786739
4-Isothiocyanatobenzonitrile #
BCP20904
CK2523
GEO-03414
AKOS000212142
CS-W000364
BP-12808
PS-13787
SY062095
C3169
NS00028270
EN300-60955