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CAS 6590-94-9

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1,2-Dichloro-4-isothiocyanatobenzene

Description:
1,2-Dichloro-4-isothiocyanatobenzene, with the CAS number 6590-94-9, is an organic compound that features a benzene ring substituted with two chlorine atoms and an isothiocyanate group. This compound is characterized by its aromatic structure, which contributes to its stability and reactivity. The presence of the isothiocyanate functional group (-N=C=S) imparts unique chemical properties, making it a useful intermediate in organic synthesis and a potential reagent in various chemical reactions. The dichloro substitution pattern indicates that chlorine atoms are located at the 1 and 2 positions of the benzene ring, which can influence the compound's reactivity and interaction with other molecules. 1,2-Dichloro-4-isothiocyanatobenzene is typically a solid at room temperature and may exhibit moderate toxicity, necessitating careful handling in laboratory settings. Its applications can range from agrochemicals to pharmaceuticals, where it may serve as a building block for more complex molecules.
Formula:C7H3Cl2NS
InChI:InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI key:InChIKey=OSBIEFWIIINTNJ-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC(Cl)=C(Cl)C=C1
Synonyms:
  • 1,2-Dichloro-4-Isothiocyanatobenzene
  • 3,4-Dichloro-1-isothiocyanatobenzene
  • 3,4-Dichloroisothiocyanatobenzene
  • Benzene, 1,2-dichloro-4-isothiocyanato-
  • Isothiocyanic acid, 3,4-dichlorophenyl ester
  • NSC 220236
  • 3,4-Dichlorophenyl isothiocyanate
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