1-(4-Isocyanatopiperidin-1-yl)-2,2,2-trifluoroethan-1-one 2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone 4-Isocyanato-1-(trifluoroacetyl)piperidine 493036-44-5 CAS 493036-44-5

Purity 97%+In StockPharmaceutical Standards
CAS No.493036-44-5
Molecular FormulaC8H9F3N2O2
Molecular Weight222.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(4-Isocyanatopiperidin-1-yl)-2,2,2-trifluoroethan-1-one 2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone 4-Isocyanato-1-(trifluoroacetyl)piperidine 493036-44-5 CAS 493036-44-5 chemical structure

Description

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.

1-(4-Isocyanatopiperidin-1-yl)-2,2,2-trifluoroethan-1-one 2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone 4-Isocyanato-1-(trifluoroacetyl)piperidine 493036-44-5 (CAS 493036-44-5), molecular formula C8H9F3N2O2 and molecular weight 222.16 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H9F3N2O2, 1-(4-Isocyanatopiperidin-1-yl)-2,2,2-trifluoroethan-1-one 2,2,2-trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone 4-Isocyanato-1-(trifluoroacetyl)piperidine 493036-44-5 contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC8H9F3N2O2
Molecular Weight222.16 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.)2025
Halogen ContentF-containing
Nitrogen Atoms2

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