1,4-Diazabicyclo[2.2.2]octane 4-methylbenzenesulfonate CAS 34985-57-4
| CAS No. | 34985-57-4 |
| Molecular Formula | C7H8O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C7H8O3SC6H12N2, 1,4-Diazabicyclo[2.2.2]octane 4-methylbenzenesulfonate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 284.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
1,4-Diazabicyclo[2.2.2]octane 4-methylbenzenesulfonate (CAS 34985-57-4), molecular formula C7H8O3SC6H12N2 and molecular weight 284.37 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C7H8O3S C6H12N2 |
| Molecular Weight | 284.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1966 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Diazabicyclo Standards
- 1,4-Diazabicyclo[4.3.1]decan-2-one (CAS 1000577-75-2)
- 7-Phenyl-1,4-diazabicyclo[4.1.0]heptan-5-one (CAS 100059-96-9)
- 2,5-Diazabicyclo[2.2.2]octane-3,6-dione (CAS 1004-98-4)
- 2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS 100944-14-7)
- 1,6-Diazabicyclo[3.2.1]octan-7-one (CAS 101080-06-2)
- 8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS 101724-47-4)
- 3-Boc-3,6-diazabicyclo[3.2.0]heptane (CAS 1017789-34-2)
- 3-Benzyl-3,7-diazabicyclo[3.3.1]nonane dihydrochloride (CAS 1024011-04-8)
Recommended Standards
- 2,5-Difluoronicotinamide (CAS 1934952-86-9)
- tert-Butyl (2-(1,1-dioxidothiomorpholino)ethyl)carbamate (CAS 625106-55-0)
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- Ethyl 2-((2-cyanophenyl)amino)-2-oxoacetate (CAS 54249-43-3)
- 4127-47-3 1,1,2,2-Tetramethylcyclopropane Cyclopropane, 1,1,2,2-tetramethyl- EINECS 223-937-9 (CAS 4127-47-3)
- 1-(4-Nitrophenyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate (CAS 73286-93-8)
- Everolimus Impurity 13 (CAS CATO-C4X-112213)
- 3-(Methylsulfonyl)-2-(p-tolyl)-1H-pyrrole (CAS 1708444-95-4)
- (4-Chloro-6-(difluoromethyl)-3-methoxypyridin-2-yl)methanol (CAS 1806942-23-3)
- Gastrin Tetrapeptide (CAS 1947-37-1)
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