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CAS 306935-83-1

:

1,5-Dichloro-2-isothiocyanato-3-methylbenzene

Description:
1,5-Dichloro-2-isothiocyanato-3-methylbenzene, with the CAS number 306935-83-1, is an organic compound characterized by the presence of both chlorine and isothiocyanate functional groups attached to a methyl-substituted benzene ring. This compound typically exhibits a pale yellow to brownish color and is likely to be a solid at room temperature. Its molecular structure includes two chlorine atoms positioned at the 1 and 5 positions of the benzene ring, while the isothiocyanate group is located at the 2 position, and a methyl group at the 3 position. The presence of the isothiocyanate group suggests potential reactivity, particularly in nucleophilic substitution reactions. Additionally, the compound may exhibit biological activity, making it of interest in various fields, including agrochemicals and pharmaceuticals. Due to the chlorine substituents, it may also possess certain environmental and health considerations, necessitating careful handling and disposal. Overall, this compound's unique structure contributes to its potential applications and reactivity in chemical synthesis.
Formula:C8H5Cl2NS
InChI:InChI=1/C8H5Cl2NS/c1-5-2-6(9)3-7(10)8(5)11-4-12/h2-3H,1H3
InChI key:InChIKey=INEPHFOQAAZPOE-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(Cl)C=C1Cl
Synonyms:
  • Benzene, 1,5-Dichloro-2-Isothiocyanato-3-Methyl-
  • 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
  • 4,6-Dichloro-o-tolyl isothiocyanate, 3,5-Dichloro-2-isothiocyanatotoluene, 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
  • Benzene, 1,5-dichloro-2-isothiocyanato-3-methyl- (9CI)
  • 2,4-DICHLORO-6-METHYLPHENYL ISOTHIOCYANATE
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