Примесь EPN 1

Description

Impurity EPN 1 (EPN impurity 1) is a concomitant compound (related impurity) accompanying the technical insecticide EPN - O-ethyl-O-(4-nitrophenyl)-phenylphosphonothioate (CAS 2104-64-5, formula C14H14NO4PS, molar mass 323.30). EPN Impurity 1 is used as an analytical reference standard for quality control and quantitation of related impurities in commercial EPN.

Basic Attributes

• CAS No.: 32341-58-5
• Chemical Formula: C18H13N2O6PS
• Molecular weight: 416.344381
• Exact weight: 416.023
• DSSTox ID: DTXSID50516449
• PSA Specifications: 142
• XLogP3: 6
• English name: EPN impurity 1
• Classification section: insecticides

Substance class

According to the gross formula C18H13N2O6PS, the compound refers to an organophosphorus substance containing a thiophosphonate (P=S) group, a nitrophenyl and an additional aromatic (benzene or substituted phenyl) moiety - that is, structurally related to EPN itself, but with a higher molecular weight and an additional content of oxygen and nitrogen atoms, which is typical of oxidized or condensed by-products of synthesis phosphonothioate insecticides.

Purpose

It is used exclusively in analytical chemistry - as a standard for the identification and quantification of impurities in batches of technical or commercial insecticide EPN by HPLC and GC-MS methods. Meets the requirements of the quality specifications of the pesticide active substance, where accompanying impurities are standardized separately from the main component.

Parent substance EPN

EPN (O-ethyl-O-(4-nitrophenyl)-phenylphosphonothioate) is an organophosphorus insecticide and acaricide of contact-intestinal action, an acetylcholinesterase inhibitor used against a wide range of pests of field and horticultural crops. The EPN 1 impurity is formed during the synthesis or storage of a technical product and is monitored as an indicator of the purity of the active substance.

Physico-chemical parameters

The molecular weight of 416.344381 and the exact mass of 416.023 are significantly higher than that of EPN itself (323.30), consistent with the more complex structure of the impurity. A polar surface area (PSA) of 142 indicates the presence of several polar functional groups—nitro-, phosphonotioate, and likely additional oxygen-containing substituents. The lipophilicity value XLogP3 = 6 indicates the pronounced lipophilicity of the molecule, typical of organophosphorus insecticides and their structural analogues.

Storage and handling

As a reference standard for the organophosphorus series, the substance requires handling according to the rules for working with toxic organophosphorus compounds: storage in a sealed container, in a cool, dry place, separately from food and feed, using personal protective equipment (gloves, goggles) when opening the package and weighing. Specific data on melting and boiling points and transportation parameters for the impurity in the dump are not provided.