1,3-Bis(difluoromethyl)-1H-pyrazole-5-carboxylic acid CAS 2540503-44-2

Purity 97%+In StockPharmaceutical Standards
CAS No.2540503-44-2
Molecular FormulaC6H4F4N2O2
Molecular Weight212.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Bis(difluoromethyl)-1H-pyrazole-5-carboxylic acid CAS 2540503-44-2 chemical structure

Description

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

1,3-Bis(difluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 2540503-44-2) is a high-purity analytical reference standard with the molecular formula C6H4F4N2O2 and a molecular weight of 212.10 g/mol.

1,3-Bis(difluoromethyl)-1H-pyrazole-5-carboxylic acid (C6H4F4N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC6H4F4N2O2
Molecular Weight212.10 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.)2001
Halogen ContentF-containing
Nitrogen Atoms2

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