CAS 873055-91-5

1,1-Dimethylethyl N-[4-(1,1-dimethylethyl)-3-nitrophenyl]carbamate

Description:

1,1-Dimethylethyl N-[4-(1,1-dimethylethyl)-3-nitrophenyl]carbamate, identified by its CAS number 873055-91-5, 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 known for its applications in agriculture, particularly as a pesticide or herbicide. The compound includes two tert-butyl groups, contributing to its hydrophobic properties, and a nitrophenyl moiety, which may enhance its biological activity. The presence of the nitro group suggests potential reactivity and interactions with biological systems. In terms of physical properties, carbamates typically exhibit moderate solubility in organic solvents and variable solubility in water, depending on their specific structure. Safety and handling considerations are essential, as carbamates can exhibit toxicity to non-target organisms, including humans, if not managed properly. Overall, this compound's unique structure and functional groups suggest potential utility in various chemical applications, particularly in agrochemicals.

Formula: C₁₅H₂₂N₂O₄

InChI: InChI=1S/C15H22N2O4/c1-14(2,3)11-8-7-10(9-12(11)17(19)20)16-13(18)21-15(4,5)6/h7-9H,1-6H3,(H,16,18)

InChI key: InChIKey=RRFXGWSVFZTAKK-UHFFFAOYSA-N

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

Synonyms:

• (4-tert-Butyl-3-nitrophenyl)carbamic acid tert-butyl ester
• 1,1-Dimethylethyl N-[4-(1,1-dimethylethyl)-3-nitrophenyl]carbamate
• Carbamic acid, N-[4-(1,1-dimethylethyl)-3-nitrophenyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [4-(1,1-dimethylethyl)-3-nitrophenyl]-, 1,1-dimethylethyl ester