2-(1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile CAS 82137-58-4

Purity 97%+In StockPharmaceutical Standards
CAS No.82137-58-4
Molecular FormulaC16H11ClN2OS
Molecular Weight314.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile CAS 82137-58-4 chemical structure

Description

The occurrence of 2-(1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile (CAS 82137-58-4) is a high-purity analytical reference standard with the molecular formula C16H11ClN2OS and a molecular weight of 314.79 g/mol.

The molecular framework of 2-(1-(2-Chlorophenyl)-3-oxo-3-(thiophen-2-yl)propyl)malononitrile (C16H11ClN2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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).

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 FormulaC16H11ClN2OS
Molecular Weight314.79 g/mol
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

Related Chlorophenyl Standards

Recommended Standards

Why CATO?