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CAS 135805-96-8

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2-METHYL-4-NITROPHENYL ISOTHIOCYANATE

Description:
2-Methyl-4-nitrophenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a substituted aromatic ring. Its molecular structure features a methyl group and a nitro group on the phenyl ring, which influence its reactivity and properties. This compound is typically a yellow to orange solid and is known for its role in various chemical reactions, particularly in the synthesis of other organic compounds. Isothiocyanates are recognized for their biological activity, including potential antimicrobial and anticancer properties. The presence of the nitro group can enhance the electrophilicity of the compound, making it useful in nucleophilic substitution reactions. Additionally, 2-methyl-4-nitrophenyl isothiocyanate may exhibit moderate to high toxicity, necessitating careful handling and appropriate safety measures in laboratory settings. Its applications can extend to fields such as medicinal chemistry and agrochemicals, where it may serve as an intermediate in the synthesis of more complex molecules.
Formula:C8H6N2O2S
InChI:InChI=1/C8H6N2O2S/c1-6-4-7(10(11)12)2-3-8(6)9-5-13/h2-4H,1H3
SMILES:Cc1cc(ccc1N=C=S)N(=O)=O
Synonyms:
  • 1-Isothiocyanato-2-methyl-4-nitrobenzene
  • Benzene, 1-isothiocyanato-2-methyl-4-nitro- (9CI)
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