5-(4-Chlorophenyl)isoxazolo[4,5-d]pyrimidine-3,7(2H,4H)-dione CAS 672942-99-3

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.

5-(4-Chlorophenyl)isoxazolo[4,5-d]pyrimidine-3,7(2H,4H)-dione (CAS 672942-99-3), molecular formula C11H6ClN3O3 and molecular weight 263.64 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(4-Chlorophenyl)isoxazolo[4,5-d]pyrimidine-3,7(2H,4H)-dione (C11H6ClN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 263.64 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.

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

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