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m-Fluorophenyl isothiocyanate

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Identification
Molecular formula
C7H4FNS
CAS number
404-72-6
IUPAC name
1-fluoro-3-isothiocyanato-benzene
State
State

At room temperature, m-Fluorophenyl isothiocyanate exists as a liquid. It is relatively stable under standard conditions but, being a reactive isothiocyanate, it must be stored properly to prevent undesired reactions.

Melting point (Celsius)
10.00
Melting point (Kelvin)
283.15
Boiling point (Celsius)
217.00
Boiling point (Kelvin)
490.15
General information
Molecular weight
169.18g/mol
Molar mass
169.1940g/mol
Density
1.2780g/cm3
Appearence

m-Fluorophenyl isothiocyanate typically appears as a colorless to pale yellow liquid. It has a distinct smell, often described as pungent, which is characteristic of isothiocyanates. The compound is used in organic synthesis and may pose a hazard if not handled properly, due to its reactive nature.

Comment on solubility

Solubility of 1-Fluoro-3-isothiocyanato-benzene

The solubility of 1-fluoro-3-isothiocyanato-benzene (C7H4FNS) can be influenced by its unique functional groups. Here are some key points to consider:

  • Polarity: This compound contains both a fluorine atom and an isothiocyanate group, contributing to its polar characteristics, which may enhance its solubility in polar solvents.
  • Solvent Compatibility: 1-fluoro-3-isothiocyanato-benzene is expected to be more soluble in solvents such as ethanol or dimethyl sulfoxide (DMSO) rather than in nonpolar solvents due to its polar nature.
  • Hydrogen Bonding: The potential for intermolecular hydrogen bonding, particularly through the isothiocyanate group, may also play a role, allowing for better interactions with appropriate solvents.
  • Concentration Effects: At higher concentrations, the solubility can be affected by aggregation or interactions with the solvent, so it’s essential to consider the context of solubility.

In summary, while the specific solubility data for 1-fluoro-3-isothiocyanato-benzene may vary, understanding its structural attributes can provide insights into its compatibility with various solvents. As noted, polar solvents are generally more effective for dissolving this compound, making it an interesting candidate for applications in both organic synthesis and material science.

Interesting facts

Interesting Facts about 1-Fluoro-3-isothiocyanato-benzene

1-Fluoro-3-isothiocyanato-benzene is an intriguing compound that plays a significant role in various fields, particularly in organic chemistry and material science. Here are some fascinating insights about this compound:

  • Versatile Building Block: This compound serves as a valuable intermediate in synthesizing various chemical entities, including pharmaceuticals and agrochemicals. Its unique functional groups allow for diverse reactivity.
  • Fluorine's Influence: The presence of the fluorine atom in the molecule imparts noticeable changes in chemical reactivity and stability. Fluorine substitution can lead to improved bioactivity and selectivity in medicinal chemistry.
  • Isothiocyanato Group: The isothiocyanate functional group is known for its biological activity. Compounds containing this group often exhibit important physiological properties, making them interesting for further research.
  • Applications in Research: 1-Fluoro-3-isothiocyanato-benzene can be utilized in studying reaction mechanisms and guiding the development of new synthetic pathways.
  • Environmental Significance: Compounds like this one can serve as important models in understanding the behavior of organofluorines in environmental chemistry, specially in studies related to their impact on ecosystems.
  • Synthesis Strategies: Chemists often utilize methodologies such as nucleophilic substitution reactions to effectively synthesize 1-fluoro-3-isothiocyanato-benzene, showcasing the creativity required in modern organic synthesis.

In summary, 1-fluoro-3-isothiocyanato-benzene embodies a range of chemical characteristics and applications that make it a focal point for researchers interested in advancing organic synthesis and exploring the potential of functionalized aromatic compounds. Its intriguing structure and reactivity pave the way for innovative discoveries in both chemistry and related fields.

Synonyms
3-Fluorophenyl isothiocyanate
404-72-8
1-Fluoro-3-isothiocyanatobenzene
Benzene, 1-fluoro-3-isothiocyanato-
m-Fluorophenyl isothiocyanate
EINECS 206-967-7
MFCD00004804
NSC 78432
ISOTHIOCYANIC ACID, m-FLUOROPHENYL ESTER
BRN 2081172
DTXSID5059955
3-12-00-01276 (Beilstein Handbook Reference)
Isothiocyanic Acid 3-Fluorophenyl Ester
3-fluorophenylisothiocyanate
1-fluoro-3-isothiocyanato-benzene
WLN: SCNR CF
SCHEMBL723373
3-fluoro-phenyl isothiocyanate
DTXCID1039761
1-Fluoro-3-isothiocyanatobenzene #
ALBB-021408
NSC78432
3-Fluorophenyl isothiocyanate, 99%
BBL010004
CK2525
GEO-01424
NSC-78432
STK801393
AKOS000212297
PS-10311
SY012573
DB-049596
F0643
NS00043204
EN300-172403
F0001-1146
206-967-7