1-[(3,4-Dichlorophenyl)methyl]-1,4-diazepane CAS 78251-53-3

Description

The occurrence of 1-[(3,4-Dichlorophenyl)methyl]-1,4-diazepane 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-[(3,4-Dichlorophenyl)methyl]-1,4-diazepane (CAS 78251-53-3), molecular formula C12H16Cl2N2 and molecular weight 259.17 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H16Cl2N2, 1-[(3,4-Dichlorophenyl)methyl]-1,4-diazepane 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 259.17 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.

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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