Ethyl 2-cyano-2-(diethoxyphosphoryl)acetate CAS 13504-83-1

Purity 97%+In StockPharmaceutical Standards
CAS No.13504-83-1
Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 2-cyano-2-(diethoxyphosphoryl)acetate CAS 13504-83-1 chemical structure

Description

The occurrence of Ethyl 2-cyano-2-(diethoxyphosphoryl)acetate is closely related to an amide group, a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 2-cyano-2-(diethoxyphosphoryl)acetate (CAS 13504-83-1), molecular formula C9H16NO5P and molecular weight 249.20 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to an amide group, a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, Ethyl 2-cyano-2-(diethoxyphosphoryl)acetate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 249.20 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityLight-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)2.5
CAS Registry Year (est.)1960
Nitrogen Atoms1

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Why CATO?