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CAS 40397-95-3

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2-Chloro-4-nitrophenyl isocyanate

Description:
2-Chloro-4-nitrophenyl isocyanate is an organic compound characterized by the presence of both isocyanate and nitro functional groups attached to a chlorinated phenyl ring. Its molecular structure features a chloro substituent at the 2-position and a nitro group at the 4-position of the phenyl ring, contributing to its reactivity and potential applications in organic synthesis. This compound is typically a yellow to brown solid, and it is known for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It exhibits moderate toxicity, and appropriate safety measures should be taken when handling it, as isocyanates can be irritants and sensitizers. The compound is soluble in organic solvents, which facilitates its use in chemical reactions. Due to its functional groups, it can participate in nucleophilic addition reactions, making it valuable in the development of more complex organic molecules. Proper storage and handling are essential to maintain its stability and prevent degradation.
Formula:C7H3ClN2O3
InChI:InChI=1/C7H3ClN2O3/c8-6-3-5(10(12)13)1-2-7(6)9-4-11/h1-3H
SMILES:c1cc(c(cc1N(=O)=O)Cl)N=C=O
Synonyms:
  • 2-Chloro-1-Isocyanato-4-Nitrobenzene
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