1-(2-(3-Chlorothiophen-2-yl)-2-oxoethyl)-1,3,5,7-tetraazaadamantan-1-ium bromide CAS 477709-00-5
| CAS No. | 477709-00-5 |
| Molecular Formula | C12H16ClN4OS |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 1-(2-(3-Chlorothiophen-2-yl)-2-oxoethyl)-1,3,5,7-tetraazaadamantan-1-ium bromide (CAS 477709-00-5), a certified reference material (molecular formula C12H16ClN4OSBr, MW 379.70 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution, 1-(2-(3-Chlorothiophen-2-yl)-2-oxoethyl)-1,3,5,7-tetraazaadamantan-1-ium bromide is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 379.70 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
Physical & Chemical Properties
| Molecular Formula | C12H16ClN4OS Br |
| Molecular Weight | 379.70 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorothiophen Standards
- 3-(5-Chlorothiophen-2-yl)propan-1-ol (CAS 1000542-40-4)
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- 2'-[4-(3-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-5,5'-dimethyl-2H,2'H-[3,4'-bipyrazole]-3'-ol (CAS 1007030-99-0)
- 1-(1-(4-(3-chlorothiophen-2-yl)thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)butane-1,3-dione (CAS 1007033-71-7)
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Recommended Standards
- 4-Benzylisoquinoline (CAS 10166-05-9)
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- 5-fluorofuran-2-carbaldehyde (CAS 50899-04-2)
- 4-(4-Ethylphenyl)-3-(ethylsulfonyl)-1H-pyrazole (CAS 1713655-94-7)
- 3-Acetamido-N-cyclopropylbenzamide (CAS 930476-06-5)
- 1-Benzyl-4,5-diphenyl-1h-imidazole-2-thiol (CAS 15061-34-4)
- N-Cyclohexyl-2-(trifluoromethyl)aniline (CAS 1039836-64-0)
- 2-Chloro-2'-(piperidin-1-yl)-4,5'-bipyrimidine (CAS 2007915-42-4)
- (R)-2-((1-Methylpiperidin-3-yl)amino)acetic acid (CAS 1354008-82-4)
- Peptide 439 (CAS CATO-CPTD788439)
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