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CAS 22134-07-2

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1,3,5-Trichloro-2-isothiocyanatobenzene

Description:
1,3,5-Trichloro-2-isothiocyanatobenzene, with the CAS number 22134-07-2, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with three chlorine atoms and an isothiocyanate group. This compound typically appears as a solid and is known for its potential applications in various fields, including agrochemicals and pharmaceuticals. The presence of chlorine atoms contributes to its reactivity and stability, while the isothiocyanate functional group is notable for its biological activity, including potential herbicidal and antimicrobial properties. The compound is generally handled with caution due to its toxicological profile, which may include irritant effects and potential environmental hazards. Its synthesis often involves chlorination reactions and the introduction of the isothiocyanate group through thiourea derivatives. Overall, 1,3,5-Trichloro-2-isothiocyanatobenzene is a significant compound in chemical research, particularly in the study of reactive intermediates and their applications in synthetic chemistry.
Formula:C7H2Cl3NS
InChI:InChI=1/C7H2Cl3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI key:InChIKey=DSXVZIOQROMOEF-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(Cl)C=C(Cl)C=C1Cl
Synonyms:
  • 1,3,5-Trichloro-2-Isothiocyanatobenzene
  • 2,4,6-Trichloroisothiocyanatobenzene
  • Benzene, 1,3,5-trichloro-2-isothiocyanato-
  • Isothiocyanic acid, 2,4,6-trichlorophenyl ester
  • 2,4,6-Trichlorophenyl isothiocyanate
  • 2,4,6-TRICHLOROPHENYL ISOTHIOCYANATE, 99
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