3,6-Bis(5''-hexyl-[2,2':5',2''-terthiophen]-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione CAS 1435933-95-1
| CAS No. | 1435933-95-1 |
| Molecular Formula | C58H72N2O2S6 |
| Molecular Weight | 1021.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3,6-Bis(5''-hexyl-[2,2':5',2''-terthiophen]-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3,6-Bis(5''-hexyl-[2,2':5',2''-terthiophen]-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS 1435933-95-1), a certified reference material (molecular formula C58H72N2O2S6, MW 1021.59 g/mol) for analytical method development and quality control.
Based on its molecular formula C58H72N2O2S6, 3,6-Bis(5''-hexyl-[2,2':5',2''-terthiophen]-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 1021.59 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 Formula | C58H72N2O2S6 |
| Molecular Weight | 1021.59 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 |
| Degree of Unsaturation (DBE) | 24.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 6 |
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Recommended Standards
- 2,5-Bis(2-ethylhexyl)-3,6-bis(5''-hexyl-[2,2':5',2''-terthiophen]-5-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS 1093468-95-1)
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