1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate CAS 76699-09-7

Purity 97%+In StockPharmaceutical Standards
CAS No.76699-09-7
Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate CAS 76699-09-7 chemical structure

Description

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.

1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate (CAS 76699-09-7), molecular formula C9H12F3NO5 and molecular weight 271.19 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H12F3NO5, 1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 271.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

As a certified reference material (CRM), 1,3-Diethyl 2-(2,2,2-trifluoroacetamido)propanedioate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1978
Halogen ContentF-containing
Nitrogen Atoms1

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