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Benzyl isothiocyanate

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Identification
Molecular formula
C8H7ClNS
CAS number
622-78-6
IUPAC name
1-chloro-2-(isothiocyanatomethyl)benzene
State
State

At room temperature, benzyl isothiocyanate is typically found in the liquid state. It is known to evaporate when exposed, therefore precautions should be taken to minimize exposure to air.

Melting point (Celsius)
-29.50
Melting point (Kelvin)
243.65
Boiling point (Celsius)
239.00
Boiling point (Kelvin)
512.15
General information
Molecular weight
151.66g/mol
Molar mass
151.6400g/mol
Density
1.2710g/cm3
Appearence

Benzyl isothiocyanate is typically a colorless to pale yellow liquid. It may emit a characteristic sharp, pungent odor similar to mustard or radish, indicative of isothiocyanate compounds.

Comment on solubility

Solubility of 1-chloro-2-(isothiocyanatomethyl)benzene

The solubility of 1-chloro-2-(isothiocyanatomethyl)benzene can present some interesting challenges due to its unique chemical structure. Here are the key points to consider:

  • Polarity: The presence of the chloro group and the isothiocyanate functional group contributes to a certain level of polarity. However, the aromatic benzene ring tends to reduce overall solubility in polar solvents.
  • Solvent Compatibility: This compound is expected to be better soluble in organic solvents, such as:
    1. Dimethyl sulfoxide (DMSO)
    2. Acetone
    3. Ethanol
  • Water Solubility: Due to the bulky aromatic structure and limited hydrogen bonding potential, 1-chloro-2-(isothiocyanatomethyl)benzene is likely to have low solubility in water.
  • Practical Considerations: When conducting experiments, it is essential to consider temperature and solvent conditions to optimize solubility. As one researcher noted, "Understanding the solubility properties can significantly influence experimental outcomes."

In conclusion, the solubility of 1-chloro-2-(isothiocyanatomethyl)benzene varies with the choice of solvent, highlighting the importance of selecting the appropriate solvents for effective use in chemical applications.

Interesting facts

Interesting Facts about 1-Chloro-2-(isothiocyanatomethyl)benzene

1-Chloro-2-(isothiocyanatomethyl)benzene, often referred to in the field of chemistry as an *aromatic compound*, exhibits a fascinating structure and a variety of potential applications.

Significance in Research

This compound is particularly notable for its role in:

  • Organic Synthesis: It serves as an intermediate in the synthesis of various biologically active molecules.
  • Pharmaceutical Development: Research indicates that derivatives of this compound may exhibit anticancer properties, making it a subject of interest in medicinal chemistry.

Unique Properties

One of the intriguing aspects of 1-Chloro-2-(isothiocyanatomethyl)benzene is its functional groups. The presence of the isothiocyanate moiety is known for:

  • Biological Activity: Isothiocyanates are recognized for their *antimicrobial* and *anti-inflammatory* properties.
  • Flavor and Sensory Impact: Compounds with similar structures are often found in cruciferous vegetables and contribute to their distinctive taste and aroma.

Environmental Applications

Moreover, this compound may play a role in environmental science:

  • Pesticidal Properties: Due to its chemical characteristics, it may be leveraged in developing eco-friendly pesticides.
  • Soil Health: Isothiocyanates have shown promise in promoting soil health and managing pests.

Key Takeaway

Understanding 1-Chloro-2-(isothiocyanatomethyl)benzene not only sheds light on its chemical properties but also highlights its potential impact across various fields such as pharmaceuticals, agriculture, and environmental sustainability. As quoted in one study, “This compound exemplifies the intersection of nature and industry, revealing the intricate links that chemistry holds with our everyday life.”

In summary, the compound stands as a testament to the diversity and utility of organic chemistry, inspiring future research and innovation.

Synonyms
2-Chlorobenzyl isothiocyanate
18967-44-7
Benzene, 1-chloro-2-(isothiocyanatomethyl)-
1-Chloro-2-(isothiocyanatomethyl)benzene
ISOTHIOCYANIC ACID, o-CHLOROBENZYL ESTER
8JLA99K9EB
NSC 221237
BRN 2936688
NSC-221237
DTXSID30172380
DTXCID4094871
Benzene, 1-chloro-2-(isothiocyanatomethyl)-(9CI)
MFCD00041110
NSC221237
WLN: SCN1R BG
UNII-8JLA99K9EB
2-Chlorobenzylisothiocyanate
SCHEMBL1457250
(2-chlorophenyl)methanisothiocyanate
TAA96744
AKOS000212500
BS-42161
1-Chloro-2-(isothiocyanatomethyl)benzene #
Benzene,1-chloro-2-(isothiocyanatomethyl)-
DB-020921
ST50825208
EN300-1263629