Ethyl 4-(2-cyanoacetyl)benzoate CAS 252895-08-2

Purity 97%+In StockPharmaceutical Standards
CAS No.252895-08-2
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-(2-cyanoacetyl)benzoate CAS 252895-08-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 217.22 g/mol gives Ethyl 4-(2-cyanoacetyl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 4-(2-cyanoacetyl)benzoate (CAS 252895-08-2) is a high-purity analytical reference standard with the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol.

Ethyl 4-(2-cyanoacetyl)benzoate (C12H11NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC12H11NO3
Molecular Weight217.22 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms1

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