3,9-Dibromo-7H-benzo[de]anthracen-7-one CAS 81-98-1
| CAS No. | 81-98-1 |
| Molecular Formula | C17H8Br2O |
| Molecular Weight | 388.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 388.05 g/mol gives 3,9-Dibromo-7H-benzo[de]anthracen-7-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3,9-Dibromo-7H-benzo[de]anthracen-7-one (CAS 81-98-1), molecular formula C17H8Br2O and molecular weight 388.05 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H8Br2O, 3,9-Dibromo-7H-benzo[de]anthracen-7-one contains a steroid core, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 388.05 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C17H8Br2O |
| Molecular Weight | 388.05 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Br-containing |
Related Dibromo Standards
- 5,9-Dibromo-7H-benzo[c]fluoren-7-one (CAS 1637660-36-6)
- 6,11-dibromo-1,4-diazatriphenylene (CAS 1012836-59-7)
- 3,5-Dibromo-4-((2-fluorobenzyl)oxy)benzaldehyde (CAS 792945-87-0)
- 3,5-Dibromo-4-[(4-fluorobenzyl)oxy]benzaldehyde (CAS 352455-49-3)
- 4-(6,8-Dibromo-2-methylimidazo[1,2-a]pyridin-3-yl)thiazol-2-amine (CAS 886507-34-2)
- 3-(4,5-Dibromo-6-oxopyridazin-1(6H)-yl)-4-methylbenzoic acid (CAS 830326-26-6)
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Recommended Standards
- Perfluoroheptane (CAS 335-57-9)
- Bis(2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methane (CAS 90213-77-7)
- Tetrachloro Biphenol S (CAS 30609-79-1)
- tert-Butyl (4,5-dichloro-2-iodophenyl)carbamate (CAS 835595-19-2)
- 1-(6-Chloropyridin-2-yl)piperazine hydrochloride (CAS 95884-49-4)
- 1-Nitropropane (CAS 108-03-2)
- (2-Methylcyclopentyl)boronic acid (CAS 89596-57-6)
- 5-Bromo-3-chloro-2-fluoropyridine-4-carbaldehyde (CAS 2092512-51-9)
- Ethyl 4-hydroxy-2-(thiophen-2-yl)thiazole-5-carboxylate (CAS 924869-00-1)
- 3-(2-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine (CAS 1012879-56-9)
- [2-(Propan-2-ylsulfanyl)pyridin-3-yl]methanol (CAS 1030829-17-4)
- (2-Amino-5-cyclopropoxyphenyl)dimethylphosphine oxide (CAS 2750028-87-4)
- Ethyl 4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylate (CAS 1330763-87-5)
- Peptide 442 (CAS CATO-CPTD788442)
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