4-Ethoxy-5-fluoro-2,6-dioxohexahydropyrimidine-5-carbonitrile CAS 65906-82-3

Purity 97%+In StockPharmaceutical Standards
CAS No.65906-82-3
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Ethoxy-5-fluoro-2,6-dioxohexahydropyrimidine-5-carbonitrile CAS 65906-82-3 chemical structure

Description

The occurrence of 4-Ethoxy-5-fluoro-2,6-dioxohexahydropyrimidine-5-carbonitrile is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-Ethoxy-5-fluoro-2,6-dioxohexahydropyrimidine-5-carbonitrile (CAS 65906-82-3), a certified reference material (molecular formula C7H8FN3O3, MW 201.16 g/mol) for analytical method development and quality control.

Structurally, 4-Ethoxy-5-fluoro-2,6-dioxohexahydropyrimidine-5-carbonitrile (C7H8FN3O3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 201.16 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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, water
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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1975
Halogen ContentF-containing
Nitrogen Atoms3

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