CAS 1956331-11-5

1,1-Dimethylethyl N-(4-chloro-3-ethoxy-5-nitro-2-pyridinyl)carbamate

Description:

1,1-Dimethylethyl N-(4-chloro-3-ethoxy-5-nitro-2-pyridinyl)carbamate, identified by its CAS number 1956331-11-5, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure that includes a pyridine ring substituted with a chloro, ethoxy, and nitro group, contributing to its unique chemical properties. The presence of the dimethylethyl group enhances its lipophilicity, which can influence its solubility and bioavailability. The nitro group is known for its potential reactivity and can participate in various chemical reactions, while the ethoxy group may affect the compound's interaction with biological systems. This compound is of interest in various fields, including agrochemicals and pharmaceuticals, due to its potential applications as a pesticide or herbicide. Its specific characteristics, such as melting point, boiling point, and reactivity, would typically be determined through experimental methods and may vary based on environmental conditions. Safety data sheets should be consulted for handling and toxicity information.

Formula: C₁₂H₁₆ClN₃O₅

InChI: InChI=1S/C12H16ClN3O5/c1-5-20-9-8(13)7(16(18)19)6-14-10(9)15-11(17)21-12(2,3)4/h6H,5H2,1-4H3,(H,14,15,17)

InChI key: InChIKey=MJFSELMRQKUNLP-UHFFFAOYSA-N

SMILES: O(CC)C1=C(NC(OC(C)(C)C)=O)N=CC(N(=O)=O)=C1Cl

Synonyms:

• 1,1-Dimethylethyl N-(4-chloro-3-ethoxy-5-nitro-2-pyridinyl)carbamate
• Carbamic acid, N-(4-chloro-3-ethoxy-5-nitro-2-pyridinyl)-, 1,1-dimethylethyl ester