5,8-Bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole CAS 1639449-99-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1639449-99-2
Molecular FormulaC58H86Br2N2S5
Molecular Weight1131.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5,8-Bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole CAS 1639449-99-2 chemical structure

Description

The occurrence of 5,8-Bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5,8-Bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole (CAS 1639449-99-2), molecular formula C58H86Br2N2S5 and molecular weight 1131.45 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 5,8-Bis(5-bromo-4-(2-octyldodecyl)thiophen-2-yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazole (C58H86Br2N2S5) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

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 FormulaC58H86Br2N2S5
Molecular Weight1131.45 g/mol
Purity97%+
StorageStore at room temperature, 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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms5

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