3-(3-Chlorophenyl)-6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 1040645-62-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1040645-62-2
Molecular FormulaC21H16ClN7O4
Molecular Weight465.85 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3-Chlorophenyl)-6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 1040645-62-2 chemical structure

Description

As a certified reference material (CRM), 3-(3-Chlorophenyl)-6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

3-(3-Chlorophenyl)-6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040645-62-2) is a high-purity analytical reference standard with the molecular formula C21H16ClN7O4 and a molecular weight of 465.85 g/mol.

Based on its molecular formula C21H16ClN7O4, 3-(3-Chlorophenyl)-6-{[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 465.85 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC21H16ClN7O4
Molecular Weight465.85 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore in a cool place (≤25°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)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms7

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