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CAS 32393-32-1

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(1-Isothiocyanatoethyl)benzene

Description:
(1-Isothiocyanatoethyl)benzene, with the CAS number 32393-32-1, is an organic compound characterized by the presence of both an isothiocyanate functional group and a benzene ring. This compound features a carbon chain that connects the isothiocyanate group to the ethyl position on the benzene ring, which contributes to its reactivity and potential applications in organic synthesis. Isothiocyanates are known for their pungent odor and are often associated with compounds found in cruciferous vegetables. They exhibit biological activity, including potential anticancer properties, and can act as electrophiles in various chemical reactions. The compound is typically a colorless to pale yellow liquid, and its solubility can vary depending on the solvent used. Due to the presence of the isothiocyanate group, it can participate in nucleophilic addition reactions and is of interest in the development of agrochemicals and pharmaceuticals. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and may pose health risks.
Formula:C9H9NS
InChI:InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChI key:InChIKey=QQCJPTVZIZVKEZ-UHFFFAOYSA-N
SMILES:C(N=C=S)(C)C1=CC=CC=C1
Synonyms:
  • Benzene, (1-isothiocyanatoethyl)-
  • Benzene, (1-isothiocyanatoethyl)-
  • α-Methylbenzylisothiocyanate
  • 1-Phenylethyl isothiocyanate
  • α-Methylbenzyl isothiocyanate
  • 1-phenylethanisothiocyanate
  • (1-Isothiocyanatoethyl)benzene
  • Isothiocyanic acid, α-methylbenzyl ester
Found 2 products.