3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecanoyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione CAS 1397261-39-0
| CAS No. | 1397261-39-0 |
| Molecular Formula | C54H82Br2N2O4S2 |
| Molecular Weight | 1047.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecanoyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
CATO supplies 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecanoyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS 1397261-39-0), a certified reference material (molecular formula C54H82Br2N2O4S2, MW 1047.18 g/mol) for analytical method development and quality control.
Structurally, 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecanoyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (C54H82Br2N2O4S2) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 1047.18 g/mol, it falls into the high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C54H82Br2N2O4S2 |
| Molecular Weight | 1047.18 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Bis Standards
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