1,2,3,4-Tetrabromodibenzo-p-dioxin CAS 104549-41-9
| CAS No. | 104549-41-9 |
| Molecular Formula | C12H4Br4O2 |
| Molecular Weight | 499.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1,2,3,4-Tetrabromodibenzo-p-dioxin (CAS 104549-41-9), molecular formula C12H4Br4O2 and molecular weight 499.77 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1,2,3,4-Tetrabromodibenzo-p-dioxin (C12H4Br4O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. 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.
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 | C12H4Br4O2 |
| Molecular Weight | 499.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Br-containing |
Related Tetrabromodibenzo Standards
- 1,3,7,8-Tetrabromodibenzo-p-dioxin (CAS 109333-31-5)
- 2,3,7,8-Tetrabromodibenzo-p-dioxin (CAS 50585-41-6)
- 2,3,4,6-Tetrabromodibenzo[b,d]furan (CAS 131166-91-1)
- 1,2,3,4-Tetrabromodibenzo[b,d]furan (CAS 617707-58-1)
- 1,2,4,8-Tetrabromodibenzo[b,d]furan (CAS 617707-65-0)
- 1,2,4,9-Tetrabromodibenzo[b,d]furan (CAS 617707-66-1)
- 1,2,6,8-Tetrabromodibenzo[b,d]furan (CAS 617707-68-3)
- 1,2,6,9-Tetrabromodibenzo[b,d]furan (CAS 617707-69-4)
Recommended Standards
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