4-[5-(7-Bromo-9,9-dioctyl-9H-fluoren-2-yl)-2-thienyl]-7-[5-(tributylstannyl)-2-thienyl]-2,1,3-benzothiadiazole CAS 1581696-33-4
| CAS No. | 1581696-33-4 |
| Molecular Formula | C55H73BrN2S3Sn |
| Molecular Weight | 1056.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-[5-(7-Bromo-9,9-dioctyl-9H-fluoren-2-yl)-2-thienyl]-7-[5-(tributylstannyl)-2-thienyl]-2,1,3-benzothiadiazole (C55H73BrN2S3Sn) 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.
4-[5-(7-Bromo-9,9-dioctyl-9H-fluoren-2-yl)-2-thienyl]-7-[5-(tributylstannyl)-2-thienyl]-2,1,3-benzothiadiazole (CAS 1581696-33-4) is a high-purity analytical reference standard with the molecular formula C55H73BrN2S3Sn and a molecular weight of 1056.99 g/mol.
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.
As a certified reference material (CRM), 4-[5-(7-Bromo-9,9-dioctyl-9H-fluoren-2-yl)-2-thienyl]-7-[5-(tributylstannyl)-2-thienyl]-2,1,3-benzothiadiazole 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.
Physical & Chemical Properties
| Molecular Formula | C55H73BrN2S3Sn |
| Molecular Weight | 1056.99 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
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