1,3-Diethyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-hydroxybenzene-1,3-dicarboxylate CAS 251096-62-5

Purity 97%+In StockPharmaceutical Standards
CAS No.251096-62-5
Molecular FormulaC18H15ClF3NO5
Molecular Weight417.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Diethyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-hydroxybenzene-1,3-dicarboxylate CAS 251096-62-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 417.76 g/mol gives 1,3-Diethyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-hydroxybenzene-1,3-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1,3-Diethyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-hydroxybenzene-1,3-dicarboxylate (CAS 251096-62-5) is a high-purity analytical reference standard with the molecular formula C18H15ClF3NO5 and a molecular weight of 417.76 g/mol.

Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 1,3-Diethyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-hydroxybenzene-1,3-dicarboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 417.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC18H15ClF3NO5
Molecular Weight417.76 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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/Cl-containing
Nitrogen Atoms1

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