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CAS 127142-66-9

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1-Chloro-4-isothiocyanato-2-nitrobenzene

Description:
1-Chloro-4-isothiocyanato-2-nitrobenzene is an organic compound characterized by the presence of a chloro group, an isothiocyanate functional group, and a nitro group attached to a benzene ring. Its molecular structure features a chlorine atom at the para position relative to the nitro group and an isothiocyanate group at the meta position. This compound is typically a yellow to brown solid and is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the isothiocyanate group. It is often used in organic synthesis and as an intermediate in the production of various chemical compounds. The presence of both the nitro and isothiocyanate groups contributes to its potential applications in medicinal chemistry and agrochemicals. Additionally, safety precautions should be taken when handling this compound, as it may pose health risks due to its reactive nature and potential toxicity. Proper storage and disposal methods are essential to mitigate any environmental impact.
Formula:C7H3ClN2O2S
InChI:InChI=1/C7H3ClN2O2S/c8-6-2-1-5(9-4-13)3-7(6)10(11)12/h1-3H
InChI key:InChIKey=ZXGZBHIDSJXKLE-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC(N=C=S)=CC=C1Cl
Synonyms:
  • 1-Chloro-4-Isothiocyanato-2-Nitrobenzene
  • Benzene, 1-chloro-4-isothiocyanato-2-nitro-
  • 4-Chloro-3-nitrophenyl isothiocyanate
  • Benzene, 1-chloro-4-isothiocyanato-2-nitro-(9CI)
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