3,6-Bis(5-bromo-2-thienyl)-2,5-dihydro-2,5-bis(4-octyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4-dione CAS 2116427-63-3
| CAS No. | 2116427-63-3 |
| Molecular Formula | C58H94Br2N2O2S2 |
| Molecular Weight | 1075.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3,6-Bis(5-bromo-2-thienyl)-2,5-dihydro-2,5-bis(4-octyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4-dione.
3,6-Bis(5-bromo-2-thienyl)-2,5-dihydro-2,5-bis(4-octyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4-dione (CAS 2116427-63-3), molecular formula C58H94Br2N2O2S2 and molecular weight 1075.32 g/mol, is a CATO reference standard with documented purity and traceability.
3,6-Bis(5-bromo-2-thienyl)-2,5-dihydro-2,5-bis(4-octyltetradecyl)pyrrolo[3,4-c]pyrrole-1,4-dione (C58H94Br2N2O2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 Formula | C58H94Br2N2O2S2 |
| Molecular Weight | 1075.32 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Bis Standards
- 6-Bromo-3-[6-bromo-1-(4-decyltetradecyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-1-(4-decyltetradecyl)-1,3-dihydro-2H-indol-2-one (CAS 1413918-79-2)
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- 3,6-Bis(5-bromo-2-furanyl)-2,5-dihydro-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4-dione (CAS 1329114-94-4)
- (E)-6-Bromo-3-(6-bromo-1-(2-octyldodecyl)-2-oxoindolin-3-ylidene)-1-(2-octyldodecyl)indolin-2-one (CAS 1375101-06-6)
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