8-((5-Bromo-2-(trifluoromethoxy)phenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane CAS 1704065-50-8
| CAS No. | 1704065-50-8 |
| Molecular Formula | C14H15BrF3NO5S |
| Molecular Weight | 446.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 8-((5-Bromo-2-(trifluoromethoxy)phenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.
8-((5-Bromo-2-(trifluoromethoxy)phenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (CAS 1704065-50-8), molecular formula C14H15BrF3NO5S and molecular weight 446.24 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, 8-((5-Bromo-2-(trifluoromethoxy)phenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 446.24 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.
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 | C14H15BrF3NO5S |
| Molecular Weight | 446.24 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (R)-3-(1-Aminoethyl)benzonitrile (CAS 127852-31-7)
- 3-Methyl-4-pyridinecarbonyl Chloride (CAS 64915-79-3)
- 1-(4-Methoxy-3-methylphenyl)ethan-1-ol (CAS 124829-12-5)
- Keto Pioglitazone-d4 (M-III-d4) (CAS 1185033-84-4)
- Cabozantinib Impurity 22 (CAS CATO-C4X-201822)
- 4-Chloro-2-nitro-5-(piperidin-1-yl)aniline (CAS 87200-61-1)
- 3-Chloro-N-(piperidin-4-yl)quinoxalin-2-amine hydrochloride (CAS 1185307-64-5)
- Thiamine Impurity 25 (CAS 2169341-54-0)
- 1-(Furan-2-yl)hexane-1,3-dione (CAS 855910-18-8)
- Semaglutide impurity 85 (CAS CATO-C4X-222685)
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