2-(4-Bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 96680-90-9

Purity 97%+In StockPharmaceutical Standards
CAS No.96680-90-9
Molecular FormulaC15H12BrNOS
Molecular Weight334.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one CAS 96680-90-9 chemical structure

Description

Based on its molecular formula C15H12BrNOS, 2-(4-Bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 334.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

2-(4-Bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one (CAS 96680-90-9) is a high-purity analytical reference standard with the molecular formula C15H12BrNOS and a molecular weight of 334.23 g/mol.

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.

As a certified reference material (CRM), 2-(4-Bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC15H12BrNOS
Molecular Weight334.23 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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