1,4,7,8-Tetrachlorodibenzo-p-dioxin CAS 40581-94-0
| CAS No. | 40581-94-0 |
| Molecular Formula | C12H4Cl4O2 |
| Molecular Weight | 321.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,4,7,8-Tetrachlorodibenzo-p-dioxin (CAS 40581-94-0) is a high-purity analytical reference standard with the molecular formula C12H4Cl4O2 and a molecular weight of 321.97 g/mol.
Structurally, 1,4,7,8-Tetrachlorodibenzo-p-dioxin (C12H4Cl4O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 321.97 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 | C12H4Cl4O2 |
| Molecular Weight | 321.97 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1968 |
| Halogen Content | Cl-containing |
Related Tetrachlorodibenzo Standards
- 1,2,8,9-Tetrachlorodibenzo-p-Dioxin (CAS 116889-69-1)
- 1,3,7,9-Tetrachlorodibenzo-p-dioxin (CAS 116889-70-4)
- 1,2,6,8-Tetrachlorodibenzo-p-dioxin (CAS 67323-56-2)
- 1,2,7,8-Tetrachlorodibenzo-p-dioxin (CAS 34816-53-0)
- 1,2,8,9-Tetrachlorodibenzo-p-dioxin (CAS 62470-54-6)
- 1,3,6,8-Tetrachlorodibenzo-p-dioxin (CAS 33423-92-6)
- 1,3,7,9-Tetrachlorodibenzo-p-dioxin (CAS 62470-53-5)
- 1,3,7,8-Tetrachlorodibenzo-p-dioxin (CAS 50585-46-1)
Recommended Standards
- 2,4-dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine (CAS 928840-99-7)
- bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,4-oxadiazole (CAS 2214281-76-0)
- 2,3,7,8-Tetrachloro-P-Dioxin (CAS 1746-01-6)
- 1,2,3,4-Tetrachlorodibenzo-p-dioxin (CAS 30746-58-8)
- 3-(Aminomethyl)indolin-2-one (CAS 412332-18-4)
- 2-Fluoro-n-(1h-pyrazol-4-yl)benzene-1-sulfonamide (CAS 1153206-27-9)
- 1-Cyclopropyl-N-(4-methoxybenzyl)methanamine (CAS 1019611-33-6)
- [3-(trifluoromethoxy)cyclohexyl]methanol (CAS 2231674-21-6)
- Bis(trimethylsilyl) fumarate (CAS 17962-03-7)
- Ethyl 5-iodo-6-methylnicotinate (CAS 1008138-75-7)
- (R)-3-((tert-butoxycarbonyl)amino)-2-(2,3-dimethoxybenzyl)propanoic acid (CAS 1260608-43-2)
- Pyridin-2-ylmethyl picolinate (CAS 2563-78-2)
- N1-benzyl-N3-methylpropane-1,3-diamine (CAS 51024-06-7)
- Semaglutide impurity 248 (CAS CATO-C4X-2226248)
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