5-((2,5-Dichlorophenyl)sulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline CAS 861206-83-9
| CAS No. | 861206-83-9 |
| Molecular Formula | C18H15Cl2F3N2O2S |
| Molecular Weight | 451.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-((2,5-Dichlorophenyl)sulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CAS 861206-83-9), molecular formula C18H15Cl2F3N2O2S and molecular weight 451.29 g/mol, is a CATO reference standard with documented purity and traceability.
5-((2,5-Dichlorophenyl)sulfonyl)-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (C18H15Cl2F3N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H15Cl2F3N2O2S |
| Molecular Weight | 451.29 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Monohydroxy Etravirine (CAS 1246815-68-8)
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- 6-Chloro-2-(phenylamino)pyridine-3-carboxylic acid (CAS 1138322-09-4)
- 6-Ethoxy-2,3-dihydro-1H-inden-1-amine (CAS 1248685-33-7)
- 4-(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidin-4-yl)morpholine (CAS 341965-47-7)
- Nifekalant impurity 3 (CAS CATO-C4X-27973)
- 2-(tert-Butoxycarbonyl)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid (CAS 2384530-49-6)
- 2-[6-(azidomethyl)-2-pyridyl]propan-2-ol (CAS 1202403-01-7)
- 5-(Chloromethyl)-4-methylpyridin-2-amine (CAS 1355233-09-8)
- 1-Methyl-3-propyl-2-thiobarbituricacid (CAS 57481-65-9)
- Peptide 437 (CAS CATO-CPTD788437)
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