Ethyl 4-iodo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-5-carboxylate CAS 2883431-36-3

Purity 97%+In StockPharmaceutical Standards
CAS No.2883431-36-3
Molecular FormulaC13H20F3IN2O3Si
Molecular Weight464.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-iodo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-5-carboxylate CAS 2883431-36-3 chemical structure

Description

The occurrence of Ethyl 4-iodo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-5-carboxylate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 4-iodo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-5-carboxylate (CAS 2883431-36-3) is a high-purity analytical reference standard with the molecular formula C13H20F3IN2O3Si and a molecular weight of 464.29 g/mol.

Structurally, Ethyl 4-iodo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-5-carboxylate (C13H20F3IN2O3Si) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 464.29 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.

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 FormulaC13H20F3IN2O3Si
Molecular Weight464.29 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)2004
Halogen ContentF/I-containing
Nitrogen Atoms2

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