4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860644-56-0

Purity 97%+In StockPharmaceutical Standards
CAS No.860644-56-0
Molecular FormulaC15H9BrClF3N4O
Molecular Weight433.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860644-56-0 chemical structure

Description

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.

4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860644-56-0) is a high-purity analytical reference standard with the molecular formula C15H9BrClF3N4O and a molecular weight of 433.61 g/mol.

Based on its molecular formula C15H9BrClF3N4O, 4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 433.61 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.

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 FormulaC15H9BrClF3N4O
Molecular Weight433.61 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl/Br-containing
Nitrogen Atoms4

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