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CAS 63429-99-2

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5-Chloro-2-methoxyphenyl isothiocyanate

Description:
5-Chloro-2-methoxyphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a phenyl ring that is substituted with both a chlorine atom and a methoxy group. This compound typically appears as a yellow to brownish liquid or solid, depending on its purity and form. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. The chlorine atom and methoxy group on the phenyl ring can influence its chemical reactivity and solubility in various solvents. 5-Chloro-2-methoxyphenyl isothiocyanate is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to form thiourea derivatives and other biologically relevant compounds. Safety precautions should be observed when handling this substance, as isothiocyanates can be irritants and may pose health risks.
Formula:C8H6ClNOS
InChI:InChI=1/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
SMILES:COc1ccc(cc1N=C=S)Cl
Synonyms:
  • 5-Chloro-2-methoxyisothiocyanatobenzene
  • 4-Chloro-2-Isothiocyanato-1-Methoxybenzene
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