S-(4-chlorophenyl) (E)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-enethioate CAS 298215-57-3

Purity 97%+In StockPharmaceutical Standards
CAS No.298215-57-3
Molecular FormulaC16H11ClO3S
Molecular Weight318.77 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

S-(4-chlorophenyl) (E)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-enethioate CAS 298215-57-3 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.

S-(4-chlorophenyl) (E)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-enethioate (CAS 298215-57-3), molecular formula C16H11ClO3S and molecular weight 318.77 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C16H11ClO3S, S-(4-chlorophenyl) (E)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-enethioate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 318.77 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC16H11ClO3S
Molecular Weight318.77 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Sulfur Atoms1

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