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CAS 23165-53-9

:

4-Chloro-1-isothiocyanato-2-methylbenzene

Description:
4-Chloro-1-isothiocyanato-2-methylbenzene, also known by its CAS number 23165-53-9, is an organic compound characterized by the presence of both 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 purity and 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 as a building block in the preparation of various chemical compounds. The chloro substituent can influence the compound's reactivity and solubility in different solvents. Additionally, 4-Chloro-1-isothiocyanato-2-methylbenzene may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. Safety precautions should be observed when handling this compound, as it may pose health risks, including irritation to the skin and respiratory system.
Formula:C8H6ClNS
InChI:InChI=1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI key:InChIKey=XTYLRVPBHHRTMS-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(Cl)C=C1
Synonyms:
  • 2-Methyl-4-chlorophenyl isothiocyanate
  • 4-Chloro-1-Isothiocyanato-2-Methylbenzene
  • 4-Chloro-2-methylphenyl isothiocyanate
  • 4-Chloro-o-tolyl isothiocyanate
  • Benzene, 4-chloro-1-isothiocyanato-2-methyl-
  • Isothiocyanic acid, 4-chloro-o-tolyl ester
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