5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 CAS 2251781-83-4

Purity 97%+In StockPharmaceutical Standards
CAS No.2251781-83-4
Molecular Formula-
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 CAS 2251781-83-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 351.37 g/mol gives 5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 (CAS 2251781-83-4), molecular formula C13H8D3SCF3O3S and molecular weight 351.37 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H8D3SCF3O3S, 5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate-d3 contains deuterium isotope labeling, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 351.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC13H8D3S CF3O3S
Molecular Weight351.37 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)9.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Halogen ContentF-containing
Sulfur Atoms2

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