3-Bromo-4H-thiochromen-4-one CAS 68847-94-9

Purity 97%+In StockPharmaceutical Standards
CAS No.68847-94-9
Molecular FormulaC9H5BrOS
Molecular Weight241.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromo-4H-thiochromen-4-one CAS 68847-94-9 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Bromo-4H-thiochromen-4-one.

3-Bromo-4H-thiochromen-4-one (CAS 68847-94-9), molecular formula C9H5BrOS and molecular weight 241.10 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H5BrOS, 3-Bromo-4H-thiochromen-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 241.10 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.

As a certified reference material (CRM), 3-Bromo-4H-thiochromen-4-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 FormulaC9H5BrOS
Molecular Weight241.10 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentBr-containing
Sulfur Atoms1

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