3-Methyl-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid CAS 89239-84-9

Purity 97%+In StockPharmaceutical Standards
CAS No.89239-84-9
Molecular FormulaC7H6F3N3O4
Molecular Weight253.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid CAS 89239-84-9 chemical structure

Description

3-Methyl-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid (CAS 89239-84-9), molecular formula C7H6F3N3O4 and molecular weight 253.14 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C7H6F3N3O4, 3-Methyl-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 253.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC7H6F3N3O4
Molecular Weight253.14 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 methanol, ethanol, DMSO, water
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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1982
Halogen ContentF-containing
Nitrogen Atoms3

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