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CAS 28115-92-6

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4-Nitrobenzoyl isothiocyanate

Description:
4-Nitrobenzoyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group attached to a 4-nitrobenzoyl moiety. It typically appears as a yellow to orange crystalline solid and is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the isothiocyanate group. This compound is often utilized in organic synthesis and as a reagent in various chemical reactions, including the preparation of thioureas and other derivatives. Its molecular structure includes a nitro group, which contributes to its electrophilic properties, making it useful in the development of pharmaceuticals and agrochemicals. Additionally, 4-nitrobenzoyl isothiocyanate may exhibit biological activity, which can be explored in medicinal chemistry. Safety precautions should be taken when handling this compound, as it may be toxic and irritant. Proper storage conditions are also essential to maintain its stability and prevent degradation.
Formula:C8H4N2O3S
InChI:InChI=1/C8H4N2O3S/c11-8(9-5-14)6-1-3-7(4-2-6)10(12)13/h1-4H
SMILES:c1cc(ccc1C(=O)N=C=S)N(=O)=O
Synonyms:
  • SALOR-INT L308315-1EA
  • isothiocyanato-(4-nitrophenyl)methanone
  • 4-Nitrobenzoyl isothiocyate
  • 4-NITROBENZENE-1-CARBONYL ISOTHIOCYANATE
  • 4-NITROBENZOYL ISOTHIOCYANATE
  • P-NITROBENZOYL ISOTHIOCYANATE
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