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4-Methylphenyl isothiocyanate

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Identification
Molecular formula
C8H7NS
CAS number
622-58-2
IUPAC name
1-isothiocyanato-4-methyl-benzene
State
State

4-Methylphenyl isothiocyanate is typically in a liquid state at room temperature. It should be handled with care due to its irritant nature.

Melting point (Celsius)
22.50
Melting point (Kelvin)
295.65
Boiling point (Celsius)
232.00
Boiling point (Kelvin)
505.00
General information
Molecular weight
149.22g/mol
Molar mass
149.2210g/mol
Density
1.1000g/cm3
Appearence

4-Methylphenyl isothiocyanate appears as a colorless to pale yellow liquid. It has a characteristic odor that is often described as pungent or irritating.

Comment on solubility

Solubility of 1-Isothiocyanato-4-methyl-benzene

1-Isothiocyanato-4-methyl-benzene, also known as p-Tolyl isothiocyanate, is an organic compound with interesting solubility characteristics that can be attributed to its molecular structure. Understanding the solubility of this compound is crucial for its applications in various fields.

Key points regarding its solubility include:

  • Polarity: The presence of the isothiocyanate group (–N=C=S) increases the polarity of the molecule, which generally enhances solubility in polar solvents.
  • Solvent Compatibility: 1-Isothiocyanato-4-methyl-benzene is typically soluble in organic solvents such as acetone, ethyl acetate, and dimethyl sulfoxide (DMSO).
  • Water Solubility: It exhibits limited water solubility, suggesting that it is primarily hydrophobic due to the hydrocarbon portion of the molecule.
  • Temperature Dependency: Like many organic compounds, its solubility is affected by temperature, often increasing at higher temperatures.

In summary, while 1-isothiocyanato-4-methyl-benzene displays considerable solubility in various organic solvents, its polar nature adds complexity to its interactions with different media. As noted, this compound is best utilized in conditions favoring organic environments rather than aqueous solutions.

Interesting facts

Interesting Facts about 1-Isothiocyanato-4-methyl-benzene

1-Isothiocyanato-4-methyl-benzene, commonly known as p-methyl isothiocyanate, is a fascinating member of the isothiocyanate family that has garnered attention for its diverse applications and properties. Below are some intriguing facts about this compound:

  • Origin: This compound is derived from the natural metabolic process of certain cruciferous vegetables, including broccoli and mustard, where isothiocyanates are produced as a defense mechanism against herbivores.
  • Biological Activity: Research has indicated that isothiocyanates, including 1-isothiocyanato-4-methyl-benzene, exhibit antioxidant and anticancer properties, making them of significant interest in medicinal chemistry.
  • Industrial Uses: This compound finds uses in various industrial applications, particularly in the synthesis of agrochemicals, where it acts as a potent bioactive agent to control pests and weeds.
  • Flavor and Aroma: Its distinct pungent smell has made it a valuable component in the food industry, particularly in flavoring agents, enhancing the taste profile of certain dishes.
  • Environmental Impact: Isothiocyanates can contribute to soil health by acting as natural pesticides, thereby promoting sustainable agricultural practices.

In summary, 1-isothiocyanato-4-methyl-benzene serves as an excellent example of how organic compounds can have multifaceted roles in nature and industry. With ongoing research, its potential applications continue to unfold, revealing more of its intriguing characteristics.

Synonyms
4-Methylphenyl isothiocyanate
p-Tolyl isothiocyanate
1-Isothiocyanato-4-methylbenzene
4-Tolyl isothiocyanate
ISOTHIOCYANIC ACID, 4-TOLYL ESTER
43U6A59KGV
p-Methylphenyl isothiocyanate
DTXSID50211240
DTXCID50133731
abqkhkwxtuvkgf-uhfffaoysa-n
inchi=1/c8h7ns/c1-7-2-4-8(5-3-7)9-6-10/h2-5h,1h
622-59-3
4-methylphenylisothiocyanate
p-tolylisothiocyanate
Benzene, 1-isothiocyanato-4-methyl-
Isothiocyanic acid, p-tolyl ester
Isothiocyanic Acid p-Tolyl Ester
1-isothiocyanato-4-methyl-benzene
4-Tolylisothiocyanate
EINECS 210-745-5
BRN 0386032
MFCD00004813
4methylphenyl isothiocyanate
UNII-43U6A59KGV
4-12-00-01938 (Beilstein Handbook Reference)
p-Tolyl isothiocyanate, 97%
SCHEMBL332260
4-methyl phenyl isothiocyanate
CHEMBL4648542
4-methyl-1-isothiocyanatobenzene
p-MethylphenylsenfA paragraph signl
AAA62259
BBL008372
STL163641
AKOS000212246
BP-12931
VS-01891
DB-073084
I0393
NS00034984
EN300-18201
D91139
A833681