4-(5-((3-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine CAS 618432-42-1

Purity 97%+In StockPharmaceutical Standards
CAS No.618432-42-1
Molecular FormulaC20H14Br2N4S
Molecular Weight502.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(5-((3-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine CAS 618432-42-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 502.22 g/mol gives 4-(5-((3-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(5-((3-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 618432-42-1) is a high-purity analytical reference standard with the molecular formula C20H14Br2N4S and a molecular weight of 502.22 g/mol.

Based on its molecular formula C20H14Br2N4S, 4-(5-((3-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 502.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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

Molecular FormulaC20H14Br2N4S
Molecular Weight502.22 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentBr-containing
Nitrogen Atoms4
Sulfur Atoms1

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