2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile CAS 339029-74-2

Purity 97%+In StockPharmaceutical Standards
CAS No.339029-74-2
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile CAS 339029-74-2 chemical structure

Description

2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile (CAS 339029-74-2), molecular formula C18H15ClF3N3O and molecular weight 381.78 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C18H15ClF3N3O, 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 381.78 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC18H15ClF3N3O
Molecular Weight381.78 g/mol
AppearancePale yellow to 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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