Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate CAS 63245-90-9

Purity 97%+In StockPharmaceutical Standards
CAS No.63245-90-9
Molecular FormulaC11H12F3N2O7P
Molecular Weight372.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate CAS 63245-90-9 chemical structure

Description

The occurrence of Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate (CAS 63245-90-9), molecular formula C11H12F3N2O7P and molecular weight 372.19 g/mol, is a CATO reference standard with documented purity and traceability.

Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate (C11H12F3N2O7P) contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC11H12F3N2O7P
Molecular Weight372.19 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
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)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1975
Halogen ContentF-containing
Nitrogen Atoms2

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