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1,3-diisothiocyanatobenzene

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Identification
Molecular formula
C8H4N2S2
CAS number
102-30-1
IUPAC name
1,3-diisothiocyanatobenzene
State
State

At room temperature, 1,3-diisothiocyanatobenzene is in a solid state. It retains its structural stability and aromaticity, characteristic of many solid organic compounds containing phenyl groups.

Melting point (Celsius)
54.00
Melting point (Kelvin)
327.15
Boiling point (Celsius)
329.10
Boiling point (Kelvin)
602.25
General information
Molecular weight
190.26g/mol
Molar mass
190.2440g/mol
Density
1.2463g/cm3
Appearence

1,3-diisothiocyanatobenzene appears as a colorless crystalline solid. It has distinct and noticeable features that align with its description as an isothiocyanate derivative, providing structural similarities to other aromatic isothiocyanate compounds.

Comment on solubility

Solubility of 1,3-Diisothiocyanatobenzene

1,3-Diisothiocyanatobenzene, known for its distinct isothiocyanate functional groups, exhibits some interesting solubility characteristics. The solubility of this compound in various solvents can be influenced by its structural features:

  • Polar Solvents: 1,3-Diisothiocyanatobenzene tends to have limited solubility in polar solvents like water, largely due to the non-polar nature of its aromatic structure.
  • Non-Polar Solvents: Conversely, it shows better solubility in non-polar organic solvents, such as hexane or benzene, which can stabilize its hydrophobic characteristics.
  • Temperature Effects: The solubility can also vary with temperature; generally, increasing temperature enhances solubility in organic solvents but has little effect in polar solvents.
  • pH Influence: Since the isothiocyanate group can interact with other molecular species, the pH of the solution may impact its solubility and stability.

In summary, while 1,3-diisothiocyanatobenzene is not soluble in water, it finds a more favorable environment within non-polar organic solvents, where it can easily dissolve and interact with other compounds. Understanding its solubility profile is crucial for applications in organic chemistry and materials science.

Interesting facts

Interesting Facts about 1,3-Diisothiocyanatobenzene

1,3-Diisothiocyanatobenzene, often referred to in scientific literature as a versatile compound, stands out due to its unique structural features and reactivity. Here are some fascinating insights into this compound:

  • Functional Groups: The presence of two isothiocyanate groups enhances the compound's reactivity, making it a valuable intermediate in synthesizing various organic molecules.
  • Biological Applications: 1,3-Diisothiocyanatobenzene has shown potential in medicinal chemistry. Its derivatives are investigated for their antitumor and antimicrobial properties, making it a compound of interest in pharmaceutical research.
  • Research Relevance: This compound is often used in studies focusing on functionalization, allowing chemists to explore new paths in material science and organic synthesis.
  • Synthetic Utility: Chemists frequently employ 1,3-diisothiocyanatobenzene as a reagent for introducing isothiocyanate functionalities into various molecules, enhancing their solubility and biological compatibility.
  • Environmental Considerations: Understanding the stability and degradation of this compound in different environments is crucial, as it is important for assessing its ecological impacts.

In summary, the multifunctional reactivity and potential applications of 1,3-diisothiocyanatobenzene make it an intriguing subject for both academic and industrial researchers. As the field of organic chemistry evolves, compounds like this one continue to pave the way for innovative discoveries.

Synonyms
3125-77-7
1,3-diisothiocyanatobenzene
ISOTHIOCYANIC ACID, m-PHENYLENE ESTER
m-Phenylenediisothiocyanate
Benzene, 1,3-diisothiocyanato-
1,3-phenylenediisothiocyanate
NSC 511743
BRN 2090352
86M48KVG07
NSC-511743
UNII-86M48KVG07
DTXSID90185178
4-13-00-00089 (Beilstein Handbook Reference)
M-ISOTHIOCYANATOPHENYL ISOTHIOCYANATE
DTXCID00107669
Benzene, 1,3-diisothiocyanato-(9CI)
1,3-Phenylene diisothiocyanate
WLN: SCNR CNCS
m-phenylene diisothiocyanate
Benzene,3-diisothiocyanato-
SCHEMBL483888
CHEMBL3754345
BOLANQNHTGVOMY-UHFFFAOYSA-N
NSC511743
1,3-Phenylene diisothiocyanate, 97%
AKOS015898416
AB89859
1 3-PHENYLENE DIISOTHIOCYANATE 97
H37085