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CAS 78225-74-8

:

4-fluorobenzoyl isothiocyanate

Description:
4-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 specific conditions. The compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the isothiocyanate group, which can readily react with amines and alcohols to form thioureas and thiocarbamates, respectively. The fluorine atom in the para position of the benzoyl moiety can influence the electronic properties of the molecule, potentially enhancing its reactivity and solubility in various organic solvents. 4-Fluorobenzoyl isothiocyanate is often used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to introduce isothiocyanate functionalities into target molecules. As with many isothiocyanates, it should be handled with care due to potential toxicity and irritant properties.
Formula:C8H4FNOS
InChI:InChI=1/C8H4FNOS/c9-7-3-1-6(2-4-7)8(11)10-5-12/h1-4H
SMILES:c1cc(ccc1C(=O)N=C=S)F
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