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CAS 23165-64-2

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2-chloro-4-nitrophenyl isothiocyanate

Description:
2-Chloro-4-nitrophenyl isothiocyanate is an organic compound characterized by the presence of both a chloro and a nitro group on a phenyl ring, along with an isothiocyanate functional group. Its molecular structure includes a phenyl ring substituted at the 2-position with a chlorine atom and at the 4-position with a nitro group, which contributes to its reactivity and potential applications in organic synthesis. The isothiocyanate group (-N=C=S) is known for its ability to react with nucleophiles, making this compound useful in various chemical reactions, including the synthesis of other organic compounds. It is typically a yellow to orange solid and may exhibit moderate solubility in organic solvents. Due to the presence of the nitro group, it may also display some degree of electron-withdrawing properties, influencing its reactivity. Safety precautions should be taken when handling this compound, as it may be toxic and irritant. Overall, 2-chloro-4-nitrophenyl isothiocyanate serves as a valuable intermediate in chemical research and development.
Formula:C7H3ClN2O2S
InChI:InChI=1/C7H3ClN2O2S/c8-6-3-5(10(11)12)1-2-7(6)9-4-13/h1-3H
InChI key:JSYNALWWKRNZDX-UHFFFAOYSA-N
SMILES:c1cc(c(cc1N(=O)=O)Cl)N=C=S
Synonyms:
  • 2-Chloro-1-Isothiocyanato-4-Nitrobenzene
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