3,3-Bis({[3-(trifluoromethyl)phenyl]methyl})pentane-2,4-dione CAS 477847-82-8

Purity 97%+In StockPharmaceutical Standards
CAS No.477847-82-8
Molecular FormulaC21H18F6O2
Molecular Weight416.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,3-Bis({[3-(trifluoromethyl)phenyl]methyl})pentane-2,4-dione CAS 477847-82-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3,3-Bis({[3-(trifluoromethyl)phenyl]methyl})pentane-2,4-dione.

3,3-Bis({[3-(trifluoromethyl)phenyl]methyl})pentane-2,4-dione (CAS 477847-82-8), molecular formula C21H18F6O2 and molecular weight 416.36 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, a hydroxyl group, an ether linkage, fluorine substitution, 3,3-Bis({[3-(trifluoromethyl)phenyl]methyl})pentane-2,4-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 416.36 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC21H18F6O2
Molecular Weight416.36 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing

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Why CATO?