CAS 1148027-13-7

1,1-Dimethylethyl N-[cyano(3,4-dichlorophenyl)methyl]carbamate

Description:

1,1-Dimethylethyl N-[cyano(3,4-dichlorophenyl)methyl]carbamate, identified by its CAS number 1148027-13-7, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by the presence of a carbamate functional group, which is linked to a cyano group and a dichlorophenyl moiety. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric hindrance, potentially influencing its reactivity and biological activity. The dichlorophenyl group may impart specific electronic properties, affecting the compound's interactions with biological targets. This compound is of interest in various fields, including agrochemicals and pharmaceuticals, due to its potential applications in pest control or as a biochemical agent. As with many chemical substances, safety and handling precautions are essential, given the potential toxicity associated with certain functional groups, particularly those containing halogens and nitriles. Further studies would be necessary to fully elucidate its properties, including solubility, stability, and environmental impact.

Formula: C₁₃H₁₄Cl₂N₂O₂

InChI: InChI=1S/C13H14Cl2N2O2/c1-13(2,3)19-12(18)17-11(7-16)8-4-5-9(14)10(15)6-8/h4-6,11H,1-3H3,(H,17,18)

InChI key: InChIKey=IUQYNNDWBGISLN-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)(C#N)C1=CC(Cl)=C(Cl)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[cyano(3,4-dichlorophenyl)methyl]carbamate
• Carbamic acid, N-[cyano(3,4-dichlorophenyl)methyl]-, 1,1-dimethylethyl ester