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CAS 19241-38-4

:

4-Bromo-1-isothiocyanato-2-methylbenzene

Description:
4-Bromo-1-isothiocyanato-2-methylbenzene, also known by its CAS number 19241-38-4, is an organic compound characterized by the presence of a bromine atom, an isothiocyanate functional group, and a methyl group attached to a benzene ring. This compound features a bromine substituent at the para position relative to the isothiocyanate group, which is attached to the first carbon of the benzene ring, while the methyl group is located at the second carbon. The presence of the isothiocyanate group indicates potential reactivity, particularly in nucleophilic substitution reactions, making it useful in various synthetic applications. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties can be influenced by the electron-withdrawing nature of the bromine and isothiocyanate groups, which can affect its reactivity and interactions with other chemical species. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and potentially harmful.
Formula:C8H6BrNS
InChI:InChI=1S/C8H6BrNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI key:InChIKey=YASXCQRGYJGIKD-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(Br)C=C1
Synonyms:
  • 1-Bromo-4-Isothiocyanato-2-Methylbenzene
  • 4-Bromo-1-Isothiocyanato-2-Methylbenzene
  • 4-Bromo-2-methylisothiocyanatobenzene
  • Benzene, 4-bromo-1-isothiocyanato-2-methyl-
  • Isothiocyanic acid, 4-bromo-o-tolyl ester
  • 4-Bromo-2-methylphenyl isothiocyanate
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