2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one CAS 1258649-65-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1258649-65-8
Molecular FormulaC13H10BrNOS
Molecular Weight308.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one CAS 1258649-65-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 308.19 g/mol gives 2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one (CAS 1258649-65-8), a certified reference material (molecular formula C13H10BrNOS, MW 308.19 g/mol) for analytical method development and quality control.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, 2-(4-Bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 308.19 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC13H10BrNOS
Molecular Weight308.19 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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