(E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one CAS 672949-81-4

Purity 97%+In StockPharmaceutical Standards
CAS No.672949-81-4
Molecular FormulaC15H14F6N2O
Molecular Weight352.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one CAS 672949-81-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 352.27 g/mol gives (E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one (CAS 672949-81-4), molecular formula C15H14F6N2O and molecular weight 352.27 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C15H14F6N2O, (E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one 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 352.27 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.

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), (E)-1,1,1-trifluoro-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)but-3-en-2-one 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 FormulaC15H14F6N2O
Molecular Weight352.27 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Nitrogen Atoms2

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