2-((1-(4-Chloro-2-nitrophenyl)-1H-pyrrol-2-yl)thio)-1-phenylethanone CAS 112798-10-4

Purity 97%+In StockPharmaceutical Standards
CAS No.112798-10-4
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((1-(4-Chloro-2-nitrophenyl)-1H-pyrrol-2-yl)thio)-1-phenylethanone CAS 112798-10-4 chemical structure

Description

The occurrence of 2-((1-(4-Chloro-2-nitrophenyl)-1H-pyrrol-2-yl)thio)-1-phenylethanone is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-((1-(4-Chloro-2-nitrophenyl)-1H-pyrrol-2-yl)thio)-1-phenylethanone (CAS 112798-10-4) is a high-purity analytical reference standard with the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol.

2-((1-(4-Chloro-2-nitrophenyl)-1H-pyrrol-2-yl)thio)-1-phenylethanone (C18H13ClN2O3S) contains a steroid core, an amide group, a sulfone 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.

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 FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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