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CAS 948294-47-1

:

1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene

Description:
1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene, with the CAS number 948294-47-1, is an organic compound characterized by the presence of a bromine atom, an isothiocyanate functional group, and a trifluoromethyl group attached to a benzene ring. This compound features a bromine substituent at the para position relative to the isothiocyanate group, which is known for its reactivity and ability to participate in nucleophilic reactions. The trifluoromethyl group contributes to the compound's lipophilicity and can influence its electronic properties, making it a valuable building block in medicinal chemistry and materials science. The presence of the isothiocyanate group suggests potential applications in biological systems, as isothiocyanates are often studied for their anticancer properties. Additionally, the compound's unique structure may impart specific physical properties, such as solubility and stability, which are important for its use in various chemical reactions and applications. Overall, this compound exemplifies the complexity and utility of halogenated aromatic compounds in synthetic chemistry.
Formula:C8H3BrF3NS
InChI:InChI=1S/C8H3BrF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI key:InChIKey=FUJRJHFGAPKJFK-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(N=C=S)=CC=C1Br
Synonyms:
  • 1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene
  • Benzene, 1-bromo-4-isothiocyanato-2-(trifluoromethyl)-
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