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CAS 5067-90-3

:

2-chlorobenzoyl isothiocyanate

Description:
2-Chlorobenzoyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group attached to a chlorobenzoyl moiety. It typically appears as a pale yellow to light brown liquid or solid, depending on its purity and form. This 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. It is often used in organic synthesis and as a reagent in various chemical reactions, including the preparation of labeled compounds for biological studies. The presence of the chlorine atom in the benzoyl group can influence its reactivity and solubility in different solvents. Additionally, 2-chlorobenzoyl isothiocyanate may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. As with many isothiocyanates, it should be handled with care due to potential toxicity and irritant properties.
Formula:C8H4ClNOS
InChI:InChI=1/C8H4ClNOS/c9-7-4-2-1-3-6(7)8(11)10-5-12/h1-4H
SMILES:c1ccc(c(c1)C(=O)N=C=S)Cl
Synonyms:
  • Benzoyl isothiocyanate, 2-chloro-
  • 2-Chlorobenzoyl isothiocyanate
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