2-(Tert-butyl)-3-formyl-1H-indole-5-carbonitrile CAS 587828-18-0

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(Tert-butyl)-3-formyl-1H-indole-5-carbonitrile.

2-(Tert-butyl)-3-formyl-1H-indole-5-carbonitrile (CAS 587828-18-0), molecular formula C14H14N2O and molecular weight 226.27 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(Tert-butyl)-3-formyl-1H-indole-5-carbonitrile (C14H14N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 226.27 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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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