3-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrazole CAS 154258-54-5

Purity 97%+In StockPharmaceutical Standards
CAS No.154258-54-5
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrazole CAS 154258-54-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 280.17 g/mol gives 3-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrazole (CAS 154258-54-5) is a high-purity analytical reference standard with the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol.

The molecular framework of 3-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrazole (C11H6F6N2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC11H6F6N2
Molecular Weight280.17 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Halogen ContentF-containing
Nitrogen Atoms2

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