1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile CAS 89454-05-7

Description

The occurrence of 1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile (CAS 89454-05-7), molecular formula C12H6ClN5 and molecular weight 255.66 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H6ClN5, 1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 255.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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

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