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CAS 3694-46-0

:

1-(Isothiocyanatomethyl)-4-methylbenzene

Description:
1-(Isothiocyanatomethyl)-4-methylbenzene, also known as p-tolyl isothiocyanate, is an organic compound characterized by the presence of an isothiocyanate functional group attached to a p-methylphenyl group. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. The compound is soluble in organic solvents but has limited solubility in water. It is often used in organic synthesis and as a reagent in various chemical reactions, including the synthesis of thioureas and other derivatives. Additionally, 1-(Isothiocyanatomethyl)-4-methylbenzene exhibits biological activity, making it of interest in medicinal chemistry and agrochemical applications. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C9H9NS
InChI:InChI=1/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChI key:InChIKey=OAXIUBJXQISJEV-UHFFFAOYSA-N
SMILES:C(N=C=S)C1=CC=C(C)C=C1
Synonyms:
  • 1-(Isothiocyanatomethyl)-4-methylbenzene
  • Benzene, 1-(isothiocyanatomethyl)-4-methyl-
  • Isothiocyanic acid, p-methylbenzyl ester
  • NSC 221231
  • p-Methylbenzyl isothiocyanate
  • 4-Methylbenzyl isothiocyanate
  • 4-Methylbenzylisothiocyanate,96%
  • 1-ISOTHIOCYANATOMETHYL-4-METHYL-BENZENE
  • isothiocyanicacid,p-methylbenzylester
  • 4-METHYLBENZYL ISOTHIOCYANATE 96%
  • 1-(isothiocyanatomethyl)-4-methyl-benzen
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