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CAS 246166-33-6

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2-Bromo-4-isopropylphenyl isothiocyanate

Description:
2-Bromo-4-isopropylphenyl isothiocyanate is an organic compound characterized by the presence of both a bromine atom and an isothiocyanate functional group attached to a phenyl ring. The compound features a branched isopropyl group, which contributes to its hydrophobic characteristics and influences its reactivity and solubility in organic solvents. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The bromine substituent can enhance the compound's reactivity in nucleophilic substitution reactions. This compound may be utilized in synthetic organic chemistry and could serve as an intermediate in the synthesis of other chemical entities. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular structure and intermolecular interactions. Safety data should be consulted, as isothiocyanates can be irritants and may pose health risks if not handled properly.
Formula:C10H10BrNS
InChI:InChI=1/C10H10BrNS/c1-7(2)8-3-4-10(12-6-13)9(11)5-8/h3-5,7H,1-2H3
SMILES:CC(C)c1ccc(c(c1)Br)N=C=S
Synonyms:
  • 2-Bromo-4-isopropyl-1-isothiocyanatobenzene
  • Benzene, 2-bromo-1-isothiocyanato-4-(1-methylethyl)-
  • 2-Bromo-1-Isothiocyanato-4-(1-Methylethyl)Benzene
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