(2E)-1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one CAS 167109-64-0

Purity 97%+In StockPharmaceutical Standards
CAS No.167109-64-0
Molecular FormulaC17H10Cl2N4O3
Molecular Weight389.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2E)-1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one CAS 167109-64-0 chemical structure

Description

The occurrence of (2E)-1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2E)-1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one (CAS 167109-64-0), molecular formula C17H10Cl2N4O3 and molecular weight 389.19 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, (2E)-1-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 389.19 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 FormulaC17H10Cl2N4O3
Molecular Weight389.19 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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2004
Halogen ContentCl-containing
Nitrogen Atoms4

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