3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione CAS 1246679-13-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1246679-13-9
Molecular FormulaC66H102Br2N2O2S4
Molecular Weight1243.60 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione CAS 1246679-13-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 1243.60 g/mol gives 3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS 1246679-13-9), a certified reference material (molecular formula C66H102Br2N2O2S4, MW 1243.60 g/mol) for analytical method development and quality control.

Structurally, 3,6-Bis(5-bromothieno[3,2-b]thiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (C66H102Br2N2O2S4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 1243.60 g/mol, it falls into the high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC66H102Br2N2O2S4
Molecular Weight1243.60 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms4

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