5-Methyl-2-(4-nitrobenzyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-77-1

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-77-1
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methyl-2-(4-nitrobenzyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-77-1 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Methyl-2-(4-nitrobenzyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one.

CATO supplies 5-Methyl-2-(4-nitrobenzyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-77-1), a certified reference material (molecular formula C17H13F3N4O3, MW 378.31 g/mol) for analytical method development and quality control.

The molecular framework of 5-Methyl-2-(4-nitrobenzyl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C17H13F3N4O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms4

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