2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate CAS 866018-41-9

Purity 97%+In StockPharmaceutical Standards
CAS No.866018-41-9
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate CAS 866018-41-9 chemical structure

Description

The occurrence of 2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate (CAS 866018-41-9), molecular formula C19H16F2N2O3 and molecular weight 358.34 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate (C19H16F2N2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 358.34 g/mol, it falls into the moderately-high-molecular-weight range. 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), 2-(2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-fluorobenzoate 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 FormulaC19H16F2N2O3
Molecular Weight358.34 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.)1987
Halogen ContentF-containing
Nitrogen Atoms2

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