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CAS 155863-32-4

:

1-(Bromomethyl)-4-isothiocyanatobenzene

Description:
1-(Bromomethyl)-4-isothiocyanatobenzene, with the CAS number 155863-32-4, is an organic compound characterized by the presence of both a bromomethyl group and an isothiocyanate functional group attached to a benzene ring. This compound typically appears as a solid and is known for its reactivity due to the presence of the isothiocyanate group, which can participate in various nucleophilic reactions. The bromomethyl group can serve as a leaving group in substitution reactions, making the compound useful in synthetic organic chemistry. It is often employed in the synthesis of more complex molecules, including pharmaceuticals and agrochemicals. The compound's properties, such as solubility and stability, can vary depending on the solvent and environmental conditions. Safety considerations should be taken into account when handling this compound, as both brominated compounds and isothiocyanates can pose health risks. Proper storage and handling protocols are essential to ensure safety in laboratory settings.
Formula:C8H6BrNS
InChI:InChI=1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChI key:InChIKey=NSQGUALFBVTBHL-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC=C(CBr)C=C1
Synonyms:
  • 1-(Bromomethyl)-4-Isothiocyanatobenzene
  • 1-Bromo-4-Isothiocyanoatomethylbenzene
  • 1-Bromomethyl-4-(isothiocyanato)benzene
  • 4-(Bromomethyl)phenyl isothiocyanate
  • Benzene, 1-(bromomethyl)-4-isothiocyanato-
  • Bromobenzyl-4-Isothiocyanate
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