Sodium 2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)-3,5-dioxo-2,5-dihydro-3H-1,2,4-triazin-4-ide CAS 112209-99-1

Purity 97%+In StockPharmaceutical Standards
CAS No.112209-99-1
Molecular FormulaC17H8Cl3N4O2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Sodium 2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)-3,5-dioxo-2,5-dihydro-3H-1,2,4-triazin-4-ide CAS 112209-99-1 chemical structure

Description

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.

Sodium 2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)-3,5-dioxo-2,5-dihydro-3H-1,2,4-triazin-4-ide (CAS 112209-99-1) is a high-purity analytical reference standard with the molecular formula C17H8Cl3N4O2Na and a molecular weight of 429.62 g/mol.

Sodium 2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)-3,5-dioxo-2,5-dihydro-3H-1,2,4-triazin-4-ide (C17H8Cl3N4O2Na) contains a salt form, a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine 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.

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 FormulaC17H8Cl3N4O2 Na
Molecular Weight429.62 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°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)14.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl-containing
Nitrogen Atoms4

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