(S)-5-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate CAS 1269472-95-8
| CAS No. | 1269472-95-8 |
| Molecular Formula | C30H31F5N3OSi |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 659.48 g/mol gives (S)-5-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(S)-5-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 1269472-95-8), molecular formula C30H31F5N3OSiBF4 and molecular weight 659.48 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C30H31F5N3OSiBF4, (S)-5-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 659.48 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C30H31F5N3OSi BF4 |
| Molecular Weight | 659.48 g/mol |
| 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) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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- N-(4-Aminophenyl)-4-methylbenzenesulfonamide (CAS 6380-08-1)
- Insulin Degludec Impurity 13 (CAS CATO-C4X-215713)
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