N-((5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl)methyl)-4-fluoroaniline CAS 1171939-88-0

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-((5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl)methyl)-4-fluoroaniline.

N-((5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl)methyl)-4-fluoroaniline (CAS 1171939-88-0), molecular formula C15H12ClFN4 and molecular weight 302.73 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of N-((5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl)methyl)-4-fluoroaniline (C15H12ClFN4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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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