4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate CAS 866039-30-7

Purity 97%+In StockPharmaceutical Standards
CAS No.866039-30-7
Molecular FormulaC18H12ClF3N2O3
Molecular Weight396.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate CAS 866039-30-7 chemical structure

Description

The occurrence of 4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate (CAS 866039-30-7), a certified reference material (molecular formula C18H12ClF3N2O3, MW 396.75 g/mol) for analytical method development and quality control.

The molecular framework of 4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate (C18H12ClF3N2O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC18H12ClF3N2O3
Molecular Weight396.75 g/mol
AppearancePale yellow to 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 DMSO, DMF, methanol
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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