3-(2,2,2-Trifluoroacetyl)-1H-pyrazol-5(4H)-one CAS 139767-77-4

Purity 97%+In StockPharmaceutical Standards
CAS No.139767-77-4
Molecular FormulaC5H3F3N2O2
Molecular Weight180.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2,2,2-Trifluoroacetyl)-1H-pyrazol-5(4H)-one CAS 139767-77-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(2,2,2-Trifluoroacetyl)-1H-pyrazol-5(4H)-one.

CATO supplies 3-(2,2,2-Trifluoroacetyl)-1H-pyrazol-5(4H)-one (CAS 139767-77-4), a certified reference material (molecular formula C5H3F3N2O2, MW 180.08 g/mol) for analytical method development and quality control.

The molecular framework of 3-(2,2,2-Trifluoroacetyl)-1H-pyrazol-5(4H)-one (C5H3F3N2O2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC5H3F3N2O2
Molecular Weight180.08 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
CAS Registry Year (est.)1996
Halogen ContentF-containing
Nitrogen Atoms2

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