1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one CAS 88045-91-4

Purity 97%+In StockPharmaceutical Standards
CAS No.88045-91-4
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.67 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one CAS 88045-91-4 chemical structure

Description

The occurrence of 1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one (CAS 88045-91-4) is a high-purity analytical reference standard with the molecular formula C12H10ClFN2O2 and a molecular weight of 268.67 g/mol.

1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one (C12H10ClFN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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. 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 FormulaC12H10ClFN2O2
Molecular Weight268.67 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-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 DMSO, DMF, methanol
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1982
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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