| CAS No. | 808142-88-3 |
| Molecular Formula | C42H42F2IrN4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 978.00 g/mol gives [4,4'-Bis(1,1-dimethylethyl)-2,2'-bipyridine-κN,κN]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]iridium hexafluorophosphate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies [4,4'-Bis(1,1-dimethylethyl)-2,2'-bipyridine-κN,κN]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]iridium hexafluorophosphate (CAS 808142-88-3), a certified reference material (molecular formula C42H42F2IrN4F6P, MW 978.00 g/mol) for analytical method development and quality control.
Structurally, [4,4'-Bis(1,1-dimethylethyl)-2,2'-bipyridine-κN,κN]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]iridium hexafluorophosphate (C42H42F2IrN4F6P) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, organophosphorus functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 978.00 g/mol, it falls into the high-molecular-weight range. 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.
| Molecular Formula | C42H42F2IrN4 F6P |
| Molecular Weight | 978.00 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) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |