4-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid CAS 128694-71-3

Purity 97%+In StockPharmaceutical Standards
CAS No.128694-71-3
Molecular FormulaC6H4ClF3N2O2
Molecular Weight228.56 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid CAS 128694-71-3 chemical structure

Description

The occurrence of 4-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid (CAS 128694-71-3), a certified reference material (molecular formula C6H4ClF3N2O2, MW 228.56 g/mol) for analytical method development and quality control.

Based on its molecular formula C6H4ClF3N2O2, 4-Chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 228.56 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.

As a certified reference material (CRM), 4-Chloro-1-methyl-3-(trifluoromethyl)-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 FormulaC6H4ClF3N2O2
Molecular Weight228.56 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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