2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile CAS 478043-30-0

Purity 97%+In StockPharmaceutical Standards
CAS No.478043-30-0
Molecular FormulaC18H8ClF6N3
Molecular Weight415.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile CAS 478043-30-0 chemical structure

Description

The occurrence of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile (CAS 478043-30-0), a certified reference material (molecular formula C18H8ClF6N3, MW 415.72 g/mol) for analytical method development and quality control.

Structurally, 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile (C18H8ClF6N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 415.72 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC18H8ClF6N3
Molecular Weight415.72 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms3

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