(5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate CAS 1037287-81-2
| CAS No. | 1037287-81-2 |
| Molecular Formula | C19H19F5N3O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate (CAS 1037287-81-2), molecular formula C19H19F5N3OBF4 and molecular weight 487.17 g/mol, is a CATO reference standard with documented purity and traceability.
(5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate (C19H19F5N3OBF4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C19H19F5N3O BF4 |
| Molecular Weight | 487.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 2-(methoxycarbonyl)butanoic acid (CAS 75970-22-8)
- 1H-Cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-acetic acid, 3-(difluoromethyl)-3b,4,4a,5-tetrahydro-, ethyl ester (CAS 1417982-52-5)
- 1,1,1-trifluoro-2-nitroethane (CAS 819-07-8)
- Vincosamide (CAS 23141-27-7)
- 2,6-Dichloro-3,5-dimethoxyphenol (CAS 685142-59-0)
- 2-(2-(1-Benzylpiperidin-4-ylidene)hydrazineyl)benzo[d]thiazole (CAS 121343-86-0)
- N-(4-chlorophenyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzamide (CAS 680213-69-8)
- 2-((3-Cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)-N-(2,6-dichlorophenyl)acetamide (CAS 626227-25-6)
- (S,S)-BisPh-propabBox (CAS 529489-04-1)
- Characteristic MSH-Tetrapeptide (CAS 4289-02-5)
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