(2,4-Dichlorophenyl)(1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanone CAS 477847-85-1

Purity 97%+In StockPharmaceutical Standards
CAS No.477847-85-1
Molecular FormulaC16H8Cl2F3N3O
Molecular Weight386.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2,4-Dichlorophenyl)(1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanone CAS 477847-85-1 chemical structure

Description

The occurrence of (2,4-Dichlorophenyl)(1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanone is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2,4-Dichlorophenyl)(1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanone (CAS 477847-85-1) is a high-purity analytical reference standard with the molecular formula C16H8Cl2F3N3O and a molecular weight of 386.16 g/mol.

The molecular framework of (2,4-Dichlorophenyl)(1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanone (C16H8Cl2F3N3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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 FormulaC16H8Cl2F3N3O
Molecular Weight386.16 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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