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1-hexadecoxy-4-isothiocyanatobenzene

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Identification
Molecular formula
C23H35NOS
CAS number
94664-66-5
IUPAC name
1-hexadecoxy-4-isothiocyanato-benzene
State
State

This compound is in a solid state at room temperature.

Melting point (Celsius)
37.00
Melting point (Kelvin)
310.20
Boiling point (Celsius)
505.10
Boiling point (Kelvin)
778.30
General information
Molecular weight
361.62g/mol
Molar mass
361.6170g/mol
Density
1.0650g/cm3
Appearence

1-Hexadecoxy-4-isothiocyanatobenzene appears as an off-white to pale yellow colored solid. It is typically a powder at room temperature.

Comment on solubility

Solubility of 1-hexadecoxy-4-isothiocyanato-benzene

The solubility of 1-hexadecoxy-4-isothiocyanato-benzene can be quite intricate due to its unique molecular structure. This compound features both hydrophobic (non-polar) and polar characteristics, influencing its behavior in different solvents.

In general, the solubility of such compounds can be summarized as follows:

  • Hydrophobic tail: The hexadecyl group (C16H33-), being a long alkyl chain, is predominantly hydrophobic. This feature tends to diminish solubility in polar solvents such as water.
  • Polar functional groups: The isothiocyanate moiety contributes some polar character, allowing for possible interaction with polar solvents.
  • Solvent preference: Thus, 1-hexadecoxy-4-isothiocyanato-benzene is more soluble in organic solvents like chloroform or ether compared to water.

In summary, while it may exhibit some solubility in polar solvents due to certain functional groups, the dominant hydrophobic characteristics of the hexadecyl chain will likely render it insoluble or poorly soluble in water. The solubility will thus largely depend on the solvent environment, establishing its behavior as typical of many similar amphiphilic compounds.

Interesting facts

Interesting Facts about 1-Hexadecoxy-4-isothiocyanato-benzene

1-Hexadecoxy-4-isothiocyanato-benzene is a fascinating compound that falls within the category of organic derivatives containing both aromatic rings and functional groups that include long-chain aliphatic ethers and isothiocyanates. This intriguing combination leads to a range of unique properties and potential applications.

Chemical Structure and Functional Groups

  • Isothiocyanate Group: This functional group is known for its reactivity, making isothiocyanates significant in the field of organic synthesis and pharmaceuticals.
  • Long-Chain Alkoxy Group: The presence of the hexadecoxy chain imparts amphiphilic characteristics to the molecule, allowing it to interact with both polar and non-polar environments.

Applications and Uses

This compound has opened up paths in various fields including:

  • Biochemistry: Compounds like isothiocyanates exhibit potential health benefits, such as anti-cancer properties derived from plants like mustard and horseradish.
  • Material Science: The long aliphatic chain may enhance solubility and interaction in polymer systems, improving material properties.
  • Pharmaceutical Industry: The distinct chemical reactivity offers avenues for developing novel therapeutic agents.

Interesting Points to Consider

Research has shown that:

  • The structure of the compound can influence its biological activities, leading to diverse outcomes in studies.
  • Due to the isothiocyanate moiety, this compound may participate in crucial biological pathways, impacting health and diseases.

In summary, 1-hexadecoxy-4-isothiocyanato-benzene exemplifies how the fusion of various functional groups can lead to compounds with diverse and impactful properties. Their study furthers our understanding of both chemical behavior and potential applications in multiple scientific realms.

Synonyms
6637-40-7
ISOTHIOCYANIC ACID, (p-CETOXYPHENYL) ESTER
Benzene, 1-(hexadecyloxy)-4-isothiocyanato-
p-Cetoxyphenylisothiocyanate
1-hexadecoxy-4-isothiocyanatobenzene
NSC 52110
WLN: SCNR DO16
BRN 3425268
NSC52110
3-13-00-01130 (Beilstein Handbook Reference)
(p-Cetoxyphenyl)isothiocyanate
DTXSID70216595
NSC-52110