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CAS 6590-97-2

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2,3-Dichloroisothiocyanatobenzene

Description:
2,3-Dichloroisothiocyanatobenzene, with the CAS number 6590-97-2, is an organic compound characterized by its aromatic structure and the presence of both chlorine and isothiocyanate functional groups. This compound features a benzene ring substituted at the 2 and 3 positions with chlorine atoms, and at one position with an isothiocyanate group (-N=C=S). It is typically a solid at room temperature and may exhibit a pale yellow to brown color. The presence of the isothiocyanate group imparts notable reactivity, making it useful in various chemical syntheses and applications, including as a reagent in organic chemistry. Additionally, the dichloro substitution can influence its physical properties, such as solubility and melting point. Due to its chemical structure, 2,3-Dichloroisothiocyanatobenzene may also exhibit biological activity, which could be of interest in fields such as medicinal chemistry or agrochemicals. Proper handling and safety precautions are essential, as compounds containing isothiocyanate groups can be toxic and irritative.
Formula:C7H3Cl2NS
InChI:InChI=1/C7H3Cl2NS/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
SMILES:c1cc(c(c(c1)N=C=S)Cl)Cl
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