1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid CAS 618102-45-7

Purity 97%+In StockPharmaceutical Standards
CAS No.618102-45-7
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid CAS 618102-45-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 351.16 g/mol gives 1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid (CAS 618102-45-7) is a high-purity analytical reference standard with the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol.

The molecular framework of 1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid (C16H9Cl2FN2O2) 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.

As a certified reference material (CRM), 1-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 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.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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