4-((6-Nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-phenyloxazol-5(4H)-one CAS 21873-12-1

Purity 97%+In StockPharmaceutical Standards
CAS No.21873-12-1
Molecular FormulaC17H10N2O6
Molecular Weight338.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((6-Nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-phenyloxazol-5(4H)-one CAS 21873-12-1 chemical structure

Description

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.

4-((6-Nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-phenyloxazol-5(4H)-one (CAS 21873-12-1), molecular formula C17H10N2O6 and molecular weight 338.27 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-((6-Nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-phenyloxazol-5(4H)-one (C17H10N2O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 338.27 g/mol, it falls into the moderately-high-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.

Physical & Chemical Properties

Molecular FormulaC17H10N2O6
Molecular Weight338.27 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1963
Nitrogen Atoms2

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