CAS 13203-40-2
:Benzene, 1-(2-isothiocyanatoethyl)-4-nitro-
Description:
Benzene, 1-(2-isothiocyanatoethyl)-4-nitro-, also known by its CAS number 13203-40-2, is an organic compound characterized by a benzene ring substituted with a nitro group and an isothiocyanatoethyl group. The presence of the nitro group typically imparts electrophilic reactivity, making it a potential candidate for further chemical transformations. The isothiocyanate functional group is known for its versatility in organic synthesis, often participating in nucleophilic reactions and forming thioureas upon reaction with amines. This compound may exhibit biological activity, as isothiocyanates are often studied for their potential anticancer properties. In terms of physical properties, it is likely to be a solid at room temperature, with moderate solubility in organic solvents. Safety data should be consulted, as compounds containing nitro and isothiocyanate groups can be hazardous, potentially exhibiting toxicity or irritant effects. Overall, this compound represents a unique structure that may have applications in chemical synthesis and medicinal chemistry.
Formula:C9H8N2O2S
InChI:InChI=1S/C9H8N2O2S/c12-11(13)9-3-1-8(2-4-9)5-6-10-7-14/h1-4H,5-6H2
InChI key:InChIKey=SRVNJDBBDLYDLP-UHFFFAOYSA-N
SMILES:C(CN=C=S)C1=CC=C(N(=O)=O)C=C1
Synonyms:- 2-(4-Nitrophenyl)ethyl isothiocyanate
- Benzene, 1-(2-isothiocyanatoethyl)-4-nitro-
- 1-(2-Isothiocyanatoethyl)-4-nitrobenzene
- Isothiocyanic acid, p-nitrophenethyl ester
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