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1,6-Diisothiocyanatohexane

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Identification
Molecular formula
C8H12N2S2
CAS number
2778-42-9
IUPAC name
1,6-diisothiocyanatohexane
State
State

1,6-Diisothiocyanatohexane is a liquid at room temperature.

Melting point (Celsius)
-21.00
Melting point (Kelvin)
252.15
Boiling point (Celsius)
138.00
Boiling point (Kelvin)
411.15
General information
Molecular weight
172.30g/mol
Molar mass
172.2960g/mol
Density
1.0860g/cm3
Appearence

1,6-Diisothiocyanatohexane typically appears as a colorless to pale yellow liquid with a strong odor. It is known for its irritant properties, particularly affecting the eyes, skin, and respiratory system.

Comment on solubility

Solubility of 1,6-diisothiocyanatohexane

1,6-diisothiocyanatohexane, with the chemical formula C6H10N2S2, exhibits interesting solubility characteristics due to its unique functional groups. This compound is known for being:

  • Slightly soluble in polar solvents like water, although its solubility may be limited due to the hydrophobic hexane backbone.
  • More soluble in organic solvents such as ethanol, methanol, or acetone, which can better accommodate the isothiocyanate groups.
  • Prone to forming complexes with metal ions, which can enhance solubility in certain conditions.

It's important to note that the presence of isothiocyanate groups can significantly affect the intermolecular interactions. As a result, the solvent polarity plays a crucial role in determining the solubility. In summary, while 1,6-diisothiocyanatohexane demonstrates limited solubility in water, it is generally more soluble in organic solvents, making its solubility profile rather distinctive.

Interesting facts

Interesting Facts About 1,6-Diisothiocyanatohexane

1,6-Diisothiocyanatohexane, often abbreviated as DITH, is a fascinating compound that has garnered attention in various fields of research. Here are some intriguing aspects:

  • Versatile Reactivity: The presence of two isothiocyanato groups in this hexane-based compound allows for a diverse range of chemical reactions, making it a valuable intermediate in organic synthesis. Its reactivity can be harnessed to create various derivatives, which can lead to new materials or pharmaceuticals.
  • Applications in Polymer Science: Due to its structure, 1,6-diisothiocyanatohexane is particularly useful in the fabrication of polymers. It can act as a cross-linking agent, enhancing the mechanical properties of materials. The ability to modify polymer properties opens doors to applications in coatings, adhesives, and biomaterials.
  • Research Interest: This compound has attracted attention in the field of medicinal chemistry. Studies have shown that derivatives of isothiocyanates can exhibit various biological activities. As a result, 1,6-diisothiocyanatohexane and its derivatives are being explored for potential anticancer, antimicrobial, and anti-inflammatory properties.
  • Multi-faceted Role: In addition to its chemical applications, researchers are investigating the environmental impact of isothiocyanates. They are known for their potential as natural pesticides, offering a greener alternative to synthetic options in agriculture.
  • Isothiocyanate Significance: Isothiocyanates, in general, are of significant interest because they are derived from glucosinolates found in cruciferous vegetables. This connection to nutrition adds another layer of importance to compounds like 1,6-diisothiocyanatohexane, linking chemical research with public health.

As scientists continue to explore the potential of 1,6-diisothiocyanatohexane, it stands as a testament to the innovative nature of chemical research, where a simple compound can lead to groundbreaking discoveries across various disciplines.

Synonyms
1,6-Hexane diisothiocyanate
1,6-Diisothiocyanatohexane
5586-70-9
ISOTHIOCYANIC ACID, HEXAMETHYLENE ESTER
Hexamethylene diisothiocyanate
Hexane, 1,6-diisothiocyanato-
Isothiocyanic acid, hexamethylene diester
37LD7GL3UD
Hexamethylene 1,6-diisothiocyanate
NSC-202579
1,6-Hexanediisothiocyanate
NSC 202579
BRN 1765297
MFCD00041137
UNII-37LD7GL3UD
SCHEMBL330913
DTXSID70204457
VZZPYUKWXDLMGI-UHFFFAOYSA-N
GEO-02815
NSC202579
AKOS006340935