4′-Bromo[1,1′-biphenyl]-4-yl 1,1,1-trifluoromethanesulfonate CAS 198624-12-3

Purity 97%+In StockPharmaceutical Standards
CAS No.198624-12-3
Molecular FormulaC13H8BrF3O3S
Molecular Weight381.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4′-Bromo[1,1′-biphenyl]-4-yl 1,1,1-trifluoromethanesulfonate CAS 198624-12-3 chemical structure

Description

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.

4′-Bromo[1,1′-biphenyl]-4-yl 1,1,1-trifluoromethanesulfonate (CAS 198624-12-3), molecular formula C13H8BrF3O3S and molecular weight 381.17 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H8BrF3O3S, 4′-Bromo[1,1′-biphenyl]-4-yl 1,1,1-trifluoromethanesulfonate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 381.17 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.

Physical & Chemical Properties

Molecular FormulaC13H8BrF3O3S
Molecular Weight381.17 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2013
Halogen ContentF/Br-containing
Sulfur Atoms1

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