(S)-5-Benzhydryl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate CAS 2172898-93-8
| CAS No. | 2172898-93-8 |
| Molecular Formula | C24H17F5N3 |
| 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.
(S)-5-Benzhydryl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 2172898-93-8) is a high-purity analytical reference standard with the molecular formula C24H17F5N3BF3F and a molecular weight of 529.21 g/mol.
Structurally, (S)-5-Benzhydryl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (C24H17F5N3BF3F) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.5, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 529.21 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C24H17F5N3 BF3 F |
| Molecular Weight | 529.21 g/mol |
| Appearance | Pale yellow to 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) | 13.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 6,6′-[(3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-diphenyl-2,2′-diyl)bis(oxy)]bis (Dibenzo[<I>d</I>,<I>f</I>][1,3,2]dioxin) (CAS 121627-17-6)
- 1-Ethyl-6-fluoroquinolin-4(1H)-one (CAS 1210718-46-9)
- (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(pyridin-2-ylmethyl)propanoic acid (CAS 1260601-10-2)
- tert-Butyl (2-cyanophenyl)carbamate (CAS 163229-43-4)
- (S)-1-Benzylpyrrolidine-2-carboxylic acid hydrochloride (CAS 92086-93-6)
- 2-(2-Bromo-4,5-dimethoxyphenyl)ethan-1-amine hydrochloride (CAS 103275-23-6)
- (S)-1-(Quinolin-6-yl)ethan-1-ol (CAS 1344939-22-5)
- n-(1-(3-Fluorophenyl)ethyl)propan-2-amine (CAS 1019498-92-0)
- 7,7-Difluorobicyclo[2.2.1]Heptan-2-amine (CAS 1432679-64-5)
- Semaglutide Impurity 123 (CAS 71997-93-8)
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