7,7'-Dibromo-5,5'-dinitro-4,4'-bibenzo[c][1,2,5]thiadiazole CAS 1418269-35-8
| CAS No. | 1418269-35-8 |
| Molecular Formula | C12H2Br2N6O4S2 |
| Molecular Weight | 518.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 518.12 g/mol gives 7,7'-Dibromo-5,5'-dinitro-4,4'-bibenzo[c][1,2,5]thiadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7,7'-Dibromo-5,5'-dinitro-4,4'-bibenzo[c][1,2,5]thiadiazole (CAS 1418269-35-8) is a high-purity analytical reference standard with the molecular formula C12H2Br2N6O4S2 and a molecular weight of 518.12 g/mol.
Structurally, 7,7'-Dibromo-5,5'-dinitro-4,4'-bibenzo[c][1,2,5]thiadiazole (C12H2Br2N6O4S2) 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 518.12 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H2Br2N6O4S2 |
| Molecular Weight | 518.12 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 | 6 |
| Sulfur Atoms | 2 |
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