2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one CAS 1357476-64-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1357476-64-2
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one CAS 1357476-64-2 chemical structure

Description

As a certified reference material (CRM), 2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-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.

2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one (CAS 1357476-64-2), molecular formula C9H9F3O2 and molecular weight 206.16 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(1,1,1-Trifluoro-2-methylpropan-2-yl)-4H-pyran-4-one (C9H9F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 206.16 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

Physical & Chemical Properties

Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; 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.)1991
Halogen ContentF-containing

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