5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole CAS 400079-89-2

Purity 97%+In StockPharmaceutical Standards
CAS No.400079-89-2
Molecular FormulaC18H13F6N3O2
Molecular Weight417.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole CAS 400079-89-2 chemical structure

Description

Based on its molecular formula C18H13F6N3O2, 5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 417.31 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).

5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole (CAS 400079-89-2) is a high-purity analytical reference standard with the molecular formula C18H13F6N3O2 and a molecular weight of 417.31 g/mol.

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 FormulaC18H13F6N3O2
Molecular Weight417.31 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3

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