3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazole CAS 956796-23-9

Purity 97%+In StockPharmaceutical Standards
CAS No.956796-23-9
Molecular FormulaC16H11Cl2FN2S
Molecular Weight353.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazole CAS 956796-23-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 353.24 g/mol gives 3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazole (CAS 956796-23-9), a certified reference material (molecular formula C16H11Cl2FN2S, MW 353.24 g/mol) for analytical method development and quality control.

Based on its molecular formula C16H11Cl2FN2S, 3-(3,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 353.24 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.

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 FormulaC16H11Cl2FN2S
Molecular Weight353.24 g/mol
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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