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CAS 19241-36-2

:

4-Chloro-2-isothiocyanato-1-methylbenzene

Description:
4-Chloro-2-isothiocyanato-1-methylbenzene, with the CAS number 19241-36-2, is an organic compound characterized by the presence of a chloro group and an isothiocyanate functional group attached to a methyl-substituted benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its reactivity, particularly due to the isothiocyanate group, which can participate in nucleophilic reactions and is often utilized in organic synthesis and medicinal chemistry. The presence of the chlorine atom can influence its electronic properties and reactivity, making it a valuable intermediate in the synthesis of various chemical compounds. Additionally, 4-Chloro-2-isothiocyanato-1-methylbenzene may exhibit biological activity, which can be explored in the context of agrochemicals or pharmaceuticals. Proper handling and safety precautions are essential, as with many isothiocyanates, due to potential toxicity and irritant properties.
Formula:C8H6ClNS
InChI:InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI key:InChIKey=VDBDGAPNWNWUSA-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=CC(Cl)=C1
Synonyms:
  • 2-Methyl-5-chlorophenyl isothiocyanate
  • 3-Chloro-6-methylisothiocyanatobenzene
  • 4-Chloro-2-Isothiocyanato-1-Methylbenzene
  • 5-Chloro-o-tolyl isothiocyanate
  • Benzene, 4-chloro-2-isothiocyanato-1-methyl-
  • Isothiocyanic acid, 5-chloro-o-tolyl ester
  • NSC 134677
  • 5-Chloro-2-methylphenyl isothiocyanate
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