6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one CAS 791-90-2

Purity 97%+In StockPharmaceutical Standards
CAS No.791-90-2
Molecular FormulaC14H8BrFN2OS
Molecular Weight351.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one CAS 791-90-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 351.19 g/mol gives 6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 791-90-2) is a high-purity analytical reference standard with the molecular formula C14H8BrFN2OS and a molecular weight of 351.19 g/mol.

Based on its molecular formula C14H8BrFN2OS, 6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 351.19 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.

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), 6-Bromo-3-(4-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-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 FormulaC14H8BrFN2OS
Molecular Weight351.19 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Halogen ContentF/Br-containing
Nitrogen Atoms2
Sulfur Atoms1

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