3,6-Dibromothiochroman-4-one CAS 861561-31-1

Purity 97%+In StockPharmaceutical Standards
CAS No.861561-31-1
Molecular FormulaC9H6Br2OS
Molecular Weight322.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,6-Dibromothiochroman-4-one CAS 861561-31-1 chemical structure

Description

3,6-Dibromothiochroman-4-one (CAS 861561-31-1), molecular formula C9H6Br2OS and molecular weight 322.02 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H6Br2OS, 3,6-Dibromothiochroman-4-one contains sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 322.02 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC9H6Br2OS
Molecular Weight322.02 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentBr-containing
Sulfur Atoms1

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