[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

Purity 97%+In StockPharmaceutical Standards
CAS No.808142-88-3
Molecular FormulaC42H42F2IrN4
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

[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 chemical structure

Description

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.

Physical & Chemical Properties

Molecular FormulaC42H42F2IrN4 F6P
Molecular Weight978.00 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing
Nitrogen Atoms4

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