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CAS 40397-96-4

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1-Chloro-4-isocyanato-2-nitrobenzene

Description:
1-Chloro-4-isocyanato-2-nitrobenzene, with the CAS number 40397-96-4, is an organic compound that features a benzene ring substituted with a chlorine atom, a nitro group, and an isocyanate group. This compound is characterized by its aromatic structure, which contributes to its stability and reactivity. The presence of the nitro group typically imparts electron-withdrawing properties, influencing the compound's reactivity in electrophilic aromatic substitution reactions. The isocyanate functional group is known for its high reactivity, particularly in forming urethanes and other derivatives through nucleophilic attack. Additionally, the chlorine atom can participate in substitution reactions, making this compound versatile in synthetic organic chemistry. It is important to handle this substance with care due to its potential toxicity and reactivity, particularly in the presence of nucleophiles. Overall, 1-Chloro-4-isocyanato-2-nitrobenzene serves as a valuable intermediate in the synthesis of various chemical products, including pharmaceuticals and agrochemicals.
Formula:C7H3ClN2O3
InChI:InChI=1S/C7H3ClN2O3/c8-6-2-1-5(9-4-11)3-7(6)10(12)13/h1-3H
InChI key:InChIKey=ZCPHLSPLEGBTCZ-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC(N=C=O)=CC=C1Cl
Synonyms:
  • 1-Chloro-4-Isocyanato-2-Nitrobenzene
  • 3-Nitro-4-chlorophenyl isocyanate
  • 4-Chloro-3-nitroisocyanatobenzene
  • Benzene, 1-chloro-4-isocyanato-2-nitro-
  • Isocyanic acid 4-chloro-3-nitrophenyl ester
  • 4-Chloro-3-nitrophenyl isocyanate
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