| CAS No. | 41396-69-4 |
| Molecular Formula | C12H8ClIrN2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of Chloro(1,5-cyclooctadiene)(1,10-phenanthroline)iridium(I) THF adduct is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Chloro(1,5-cyclooctadiene)(1,10-phenanthroline)iridium(I) THF adduct (CAS 41396-69-4), molecular formula C12H8ClIrN2C8H12 and molecular weight 516.06 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Chloro(1,5-cyclooctadiene)(1,10-phenanthroline)iridium(I) THF adduct (C12H8ClIrN2C8H12) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C12H8ClIrN2 C8H12 |
| Molecular Weight | 516.06 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 11.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |