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CAS 899806-25-8

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1-Chloro-3-fluoro-2-isothiocyanatobenzene

Description:
1-Chloro-3-fluoro-2-isothiocyanatobenzene is an organic compound characterized by the presence of a benzene ring substituted with a chlorine atom, a fluorine atom, and an isothiocyanate group. The molecular structure features a chloro group at the 1-position, a fluoro group at the 3-position, and an isothiocyanate functional group at the 2-position of the benzene ring. This compound is typically a solid at room temperature and may exhibit a range of physical properties such as solubility in organic solvents. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic substitution reactions, and it may also exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the chlorine and fluorine substituents can influence the compound's electronic properties and reactivity, potentially enhancing its stability and lipophilicity. Safety precautions should be taken when handling this compound, as isothiocyanates can be toxic and irritating.
Formula:C7H3ClFNS
InChI:InChI=1S/C7H3ClFNS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChI key:DFQHWRCYXUNZDH-UHFFFAOYSA-N
SMILES:C1=CC(=C(C(=C1)Cl)N=C=S)F
Synonyms:
  • Benzene, 1-chloro-3-fluoro-2-isothiocyanato-
  • 2-Chloro-6-Fluorophenylisothiocyanate
Found 4 products.