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CAS 244022-67-1

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1,5-Dibromo-3-fluoro-2-isothiocyanatobenzene

Description:
1,5-Dibromo-3-fluoro-2-isothiocyanatobenzene is an organic compound characterized by the presence of bromine, fluorine, and isothiocyanate functional groups attached to a benzene ring. This compound features two bromine atoms located at the 1 and 5 positions, a fluorine atom at the 3 position, and an isothiocyanate group at the 2 position of the benzene ring. The presence of these halogen substituents and the isothiocyanate group contributes to its reactivity and potential applications in various chemical reactions, including nucleophilic substitutions and coupling reactions. The compound is likely to exhibit moderate to high polarity due to the electronegative halogens and the isothiocyanate group, which can influence its solubility in different solvents. Additionally, the isothiocyanate moiety is known for its biological activity, making this compound of interest in medicinal chemistry and agrochemical research. Safety precautions should be taken when handling this compound, as halogenated compounds can pose health risks and environmental concerns.
Formula:C7H2Br2FNS
InChI:InChI=1S/C7H2Br2FNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI key:InChIKey=VDTMHXBNLSMARZ-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(Br)C=C(Br)C=C1F
Synonyms:
  • 1,5-Dibromo-3-Fluoro-2-Isothiocyanatobenzene
  • Benzene, 1,5-dibromo-3-fluoro-2-isothiocyanato-
  • 2,4-Dibromo-6-fluorophenyl isothiocyanate
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