N-(2-(3-Fluorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide CAS 331447-20-2

Purity 97%+In StockPharmaceutical Standards
CAS No.331447-20-2
Molecular FormulaC20H12FN3O4
Molecular Weight377.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-(3-Fluorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide CAS 331447-20-2 chemical structure

Description

The occurrence of N-(2-(3-Fluorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

N-(2-(3-Fluorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide (CAS 331447-20-2), molecular formula C20H12FN3O4 and molecular weight 377.33 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, N-(2-(3-Fluorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide (C20H12FN3O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 377.33 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC20H12FN3O4
Molecular Weight377.33 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3

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