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CAS 57878-93-0

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2-chloro-4-methylphenyl isothiocyanate

Description:
2-Chloro-4-methylphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a chlorinated aromatic ring. Its molecular structure includes a phenyl ring substituted with a chlorine atom at the 2-position and a methyl group at the 4-position, contributing to its unique reactivity and properties. This compound is typically a yellow to brown liquid with a pungent odor, indicative of isothiocyanates, which are known for their strong biological activity. It is soluble in organic solvents but has limited solubility in water. 2-Chloro-4-methylphenyl isothiocyanate is often used in chemical synthesis and research, particularly in the development of agrochemicals and pharmaceuticals. Its reactivity allows it to participate in various chemical reactions, including nucleophilic substitutions and additions, making it a valuable intermediate in organic synthesis. Safety precautions are necessary when handling this compound due to its potential irritant properties and toxicity.
Formula:C8H6ClNS
InChI:InChI=1/C8H6ClNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
SMILES:Cc1ccc(c(c1)Cl)N=C=S
Synonyms:
  • 2-Chloro-1-Isothiocyanato-4-Methylbenzene
  • 2-Chloro-4-methylphenyl isothiocyanate
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