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CAS 19241-17-9

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4-Isothiocyanato-1,2-dimethylbenzene

Description:
4-Isothiocyanato-1,2-dimethylbenzene, also known as p-isothiocyanatotoluene, is an organic compound characterized by the presence of an isothiocyanate functional group attached to a dimethyl-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 pungent odor, characteristic of isothiocyanates, which can be irritating. The presence of the isothiocyanate group imparts notable reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis and as a building block in the preparation of various chemical derivatives. Additionally, 4-isothiocyanato-1,2-dimethylbenzene may exhibit biological activity, including potential applications in medicinal chemistry and agrochemicals. It is important to handle this compound with care due to its potential toxicity and irritant properties. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance in a laboratory setting.
Formula:C9H9NS
InChI:InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3
InChI key:InChIKey=JFSHJWKBNJMGOK-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC(C)=C(C)C=C1
Synonyms:
  • 3,4-Dimethylisothiocyanatobenzene
  • 4-Isothiocyanato-1,2-dimethylbenzene
  • Benzene, 4-isothiocyanato-1,2-dimethyl-
  • Isothiocyanic acid, 3,4-xylyl ester
  • 3,4-Dimethylphenyl isothiocyanate
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