CAS 100663-24-9
:3-Fluorobenzoyl isothiocyanate
Description:
3-Fluorobenzoyl isothiocyanate is an organic compound characterized by the presence of both a fluorobenzoyl group and an isothiocyanate functional group. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. The compound features a benzene ring substituted with a fluorine atom at the meta position relative to the carbonyl group, which contributes to its unique reactivity and properties. Isothiocyanates are known for their ability to react with nucleophiles, making 3-fluorobenzoyl isothiocyanate useful in various synthetic applications, particularly in the field of medicinal chemistry and agrochemicals. The presence of the fluorine atom can enhance the compound's lipophilicity and influence its biological activity. Additionally, this compound may exhibit specific spectral characteristics in infrared and nuclear magnetic resonance spectroscopy, aiding in its identification and analysis. As with many isothiocyanates, it should be handled with care due to potential toxicity and irritant properties.
Formula:C8H4FNOS
InChI:InChI=1S/C8H4FNOS/c9-7-3-1-2-6(4-7)8(11)10-5-12/h1-4H
InChI key:InChIKey=JUGSSMJMUUWGIN-UHFFFAOYSA-N
SMILES:C(N=C=S)(=O)C1=CC(F)=CC=C1
Synonyms:- 3-Fluorobenzoyl isothiocyanate
- m-Fluorobenzoyl isothiocyanate
- Benzoyl isothiocyanate, 3-fluoro-
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