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4-Fluorophenyl isothiocyanate

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Identification
Molecular formula
C7H4FNS
CAS number
403-38-3
IUPAC name
1-fluoro-4-isothiocyanato-benzene
State
State

At room temperature, 4-Fluorophenyl isothiocyanate is in a liquid state.

Melting point (Celsius)
-10.00
Melting point (Kelvin)
263.15
Boiling point (Celsius)
212.00
Boiling point (Kelvin)
485.15
General information
Molecular weight
153.18g/mol
Molar mass
153.1810g/mol
Density
1.2792g/cm3
Appearence

4-Fluorophenyl isothiocyanate is a colorless to pale yellow liquid. It is often used in organic synthesis and its distinct pungent smell is characteristic of isothiocyanate functional groups.

Comment on solubility

Solubility of 1-fluoro-4-isothiocyanato-benzene

The solubility of 1-fluoro-4-isothiocyanato-benzene is influenced by its unique chemical structure and properties. When considering its solubility behavior, several factors come into play:

  • Polarity: The presence of both a fluorine atom and an isothiocyanate group contributes to the compound's polarity. The polar nature often leads to modest solubility in polar solvents.
  • Solvent Compatibility: 1-fluoro-4-isothiocyanato-benzene is more likely to dissolve in organic solvents such as acetone, dichloromethane, and ethanol, rather than in water due to its hydrophobic characteristics.
  • Concentration Factors: Like many organic compounds, its solubility can be affected by the temperature and concentration; typically, higher temperatures can increase solubility.

In summary, while 1-fluoro-4-isothiocyanato-benzene may exhibit limited solubility in polar solvents, its compatibility with non-polar and moderately polar organic solvents renders it usable across various applications. Understanding the solubility behavior is crucial for effective handling and application of this compound in chemical processes.

Interesting facts

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

1-Fluoro-4-isothiocyanato-benzene is a fascinating compound that belongs to the family of aromatic isothiocyanates. Here are some engaging insights into this intriguing chemical:

  • Unique Structure: The presence of both a fluorine atom and an isothiocyanate group on a benzene ring creates a compound that exhibits interesting reactivity and properties, making it useful in various chemical applications.
  • Reactivity: The isothiocyanate group is known for its ability to undergo nucleophilic substitution reactions. This makes 1-fluoro-4-isothiocyanato-benzene a valuable intermediate in synthetic organic chemistry.
  • Biological Significance: Compounds containing isothiocyanates are often studied for their potential health benefits, including anticancer properties. While specific studies may focus on similar compounds, the derivatives of isothiocyanates have garnered considerable attention in the field of medicinal chemistry.
  • Analytical Applications: Due to its unique functional groups, this compound can serve as a key component in the development of analytical methods for detecting and quantifying various substances in complex mixtures.
  • Flavor Profile: Isothiocyanates, in general, contribute to the unique flavors and aromas associated with certain plants, such as mustard and broccoli, sparking interest in the culinary field as well as in chemical research.

In summary, 1-fluoro-4-isothiocyanato-benzene is not just another compound; it is a gateway into both the worlds of organic synthesis and potential health benefits. Its unique characteristics make it an exciting subject of study in various scientific disciplines.

Synonyms
4-Fluorophenyl isothiocyanate
p-Fluorophenyl isothiocyanate
Benzene, 1-fluoro-4-isothiocyanato-
EINECS 216-280-4
NSC 78433
BRN 0636596
DTXSID3061768
4-12-00-01110 (Beilstein Handbook Reference)
DTXCID1034973
216-280-4
nfiujhjmcqqydl-uhfffaoysa-n
1544-68-9
1-Fluoro-4-isothiocyanatobenzene
4-fluorophenylisothiocyanate
1-fluoro-4-isothiocyanato-benzene
ISOTHIOCYANIC ACID, p-FLUOROPHENYL ESTER
Isothiocyanic Acid 4-Fluorophenyl Ester
MFCD00004809
WLN: SCNR DF
4fluorophenyl isothiocyanate
4-fluoro-phenylisothiocyanate
4-fluorophenyl-isothiocyanate
SCHEMBL457225
4-fluoro-phenyl isothiocyanate
CHEMBL4646848
1-isothiocyanato-4-fluorobenzene
1-Fluoro-4-isothiocyanatobenzene #
NSC78433
4-Fluorophenyl isothiocyanate, 98%
1-fluoranyl-4-isothiocyanato-benzene
BBL012572
GEO-04330
NSC-78433
STL163642
AKOS000212244
BP-12925
PS-10310
DB-043222
F0644
NS00047599
EN300-17378
A809538
F2121-0327