N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide CAS 476485-99-1

Purity 97%+In StockPharmaceutical Standards
CAS No.476485-99-1
Molecular FormulaC23H18BrClN4OS
Molecular Weight513.84 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide CAS 476485-99-1 chemical structure

Description

The occurrence of N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 476485-99-1), molecular formula C23H18BrClN4OS and molecular weight 513.84 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C23H18BrClN4OS, N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 513.84 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.

As a certified reference material (CRM), N-(2-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC23H18BrClN4OS
Molecular Weight513.84 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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms4
Sulfur Atoms1

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