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The Remarkable Story of Ir(dtbbpy)(ppy)₂PF₆: Illuminating Progress in Photoredox Catalysis

Historical Development

Back in the early days of organometallic chemistry, nobody predicted the leaps that iridium complexes would take over the next few decades. Synthetic chemists stumbled onto the ability of cyclometalated iridium compounds to undergo powerful, visible-light induced transformations. Over time, the structure Ir(dtbbpy)(ppy)2PF6 emerged as a standout catalyst. It brings together ortho-metallated phenylpyridine (ppy) ligands, lending robust photostability, with a 4,4'-di-tert-butyl-2,2'-bipyridine (dtbbpy) ligand that tunes its electronic properties and pushes its absorption deep into the visible spectrum. Chemists grasped the possibilities as these complexes began unlocking transformations previously thought impossible—like activating unreactive bonds in mild, sustainable ways. Mainstream recognition took off as academic research shifted toward practical photoredox catalysis. The material's unique combination of stability and activity spearheaded a renaissance in visible-light organic synthesis, finding favor for both discovery and scale-up.

Product Overview

Ir(dtbbpy)(ppy)2PF6 never claims the front page compared to buzzwords like “green chemistry” or “clean energy,” but its influence ripples through every reaction it touches. It helps transform simple building blocks into complex, functional molecules—without the need for harsh reagents, high heat, or excessive waste. The structure strikes a tricky balance: two ppy ligands lock the iridium in place, giving resilience and stability, while dtbbpy opens the door to powerful light-harvesting and electron-transfer abilities. Combined with the hexafluorophosphate counterion, this bright orange-red compound brings high solubility in organic media and works reliably over a broad range of photochemical conditions. Most labs using it today rely on pre-weighed crystalline samples, delivered in amber bottles, protecting the material from moisture and light. Each bottle offers the promise of transforming bench-scale projects into discoveries with real impact—everything from faster pharmaceuticals to new materials.

Physical & Chemical Properties

Let’s get real: practical users care more about what a compound does than all the jargon. Ir(dtbbpy)(ppy)2PF6 offers a unique combination of solubility, visible absorbance, and redox potential. As a solid, it shows an unmistakable deep orange color, signaling its readiness for absorbing blue and green light. It dissolves freely in acetonitrile, dichloromethane, and other common solvents used by synthetic chemists. The presence of bulky tert-butyl groups shields the central iridium, reducing non-productive side reactions and quenching. Its potent excited state stands out since it can donate and accept electrons efficiently—moving effortlessly between oxidation states and acting as a shuttle for photoredox cycles. Many catalysts can’t take this kind of daily abuse in a typical lab environment, but this one shrugs off air, moderate heat, and lengthy reaction times, making it unusually robust and adaptable.

Technical Specifications & Labeling

In the hustle and flow of laboratory work, users track what’s actually relevant—purity, color, and handling instructions. The best suppliers ensure Ir(dtbbpy)(ppy)2PF6 arrives as a clean, crystalline solid, without any strange odors or moisture clumping. Labels display unambiguous details: molecular formula, relevant CAS numbers, and hazard warnings. Reliable lots always mention storage in the dark, dry place, generally at room temperature, far from acids or bases. Anyone who has spilled a bottle knows the bright pigment can stain almost anything it touches, and it’s wise to pay attention to these clues—this isn’t an ingredient for cooking or cosmetics.

Preparation Method

Synthesis follows a type of choreography only organometallic chemists put to music. The process typically starts with a chloro-bridged iridium dimer, prepared from iridium trichloride and phenylpyridine ligands in a high boiling alcohol. Swapping out the chloride ligands for dtbbpy in the presence of a silver salt breaks up the dimer, forming the classic tris-chelated structure. The reaction mixture gets filtered to remove silver chloride. Hexafluorophosphate anion comes in via salt metathesis, giving a product that falls out as a sparkling orange powder. Recrystallization, usually from a mixture of acetonitrile and ether or similar solvents, removes minor impurities and sharpens its identity. This is not an amateur endeavor; each step demands patience for purification and meticulous attention to moisture—water is the enemy of yield and purity here.

Chemical Reactions & Modifications

Ir(dtbbpy)(ppy)2PF6 sits at the center of photoredox chemistry. Once exposed to visible light, it jumps to an excited electronic state. There, it can grab electrons from sacrificial donors or push them onto creative partners—alkyl halides, aryl diazonium salts, you name it. This dual nature earns it a spot in etherifications, dehalogenations, C–N and C–C bond forming processes, and late-stage functionalizations. Some researchers tinker with the ligands to adjust redox potentials or wavelength sensitivity, sometimes swapping out dtbbpy for other bipyridine derivatives or replacing ppy with different cyclometalated aryl ligands. These tweaks help tailor the catalyst for tough, specialist applications—say, fine-tuning quantum yields or managing selectivity in multi-step settings that otherwise would kill lesser catalysts.

Synonyms & Product Names

This compound wears many hats in the literature. Chemists often call it “bis(2-phenylpyridine)(4,4'-di-tert-butyl-2,2'-bipyridine)iridium(III) hexafluorophosphate,” but that doesn’t roll off the tongue. Some refer to it as “Ir[dF(CF3)ppy]2(dtbbpy)PF6” or “Ir(ppy)2(dtbbpy)PF6,” shorthand favored in published procedures. In catalogs, you might even see broader names associated with the structure. Reading carefully always pays off, since confusion with similar complexes can lead to headaches, wrecking accuracy in sensitive reaction schemes.

Safety & Operational Standards

No organometallic reagent should be handled with disregard, and Ir(dtbbpy)(ppy)2PF6 keeps the playing field honest. Users reach for gloves and splash-proof eyewear because even one errant dust speck can stain skin and bench tops, and the compound brings some toxicity concerns—thanks to both iridium and fluorinated counterions. Work in a fume hood isn’t just for over-cautious grad students; it pays dividends as photoproducts and degradation fumes may be unpredictable. Hands-on experience always proves that open containers and bright light don’t mix: long exposure to sunlight or even ambient room light can degrade the quality and effectiveness. Disposal needs diligence—collecting all wastes in properly labeled, heavy-duty containers, and sending for certified waste treatment, not washing down the drain.

Application Area

Every time a lab makes a complex molecule in dozens of steps, time and energy wasted on old-school oxidation and reduction methods hurts progress. Ir(dtbbpy)(ppy)2PF6 spurs creativity in pharmaceuticals, agrochemicals, materials science, and late-stage functionalization of APIs. Synthetic researchers have made breakthroughs in C–H bond activation, often thought of as “unreactive” territory, and drug hunters appreciate the catalyst’s ability to produce late-stage modifications with high precision and short reaction times. OLED experts and photonic materials engineers chase after its light-absorption and emission traits, using similar structures for lighting, sensors, and imaging agents. My own engagement with the catalyst revolved around multi-step synthesis, where using the iridium complex replaced multiple hazardous reagents, condensed several steps, and trimmed days off development timelines—a relief in both tedium and exposure risk.

Research & Development

In research, Ir(dtbbpy)(ppy)2PF6 stands at the crossroads of fundamental and applied science. Academic groups push at the frontiers by merging photoredox cycles with nickel or copper catalysts, unlocking cross-coupling methods nobody could reach before. Research journals bristle with fresh ideas for fixing classic problems—site-selective studies, total syntheses of natural products, and pharmaceutically relevant aminations. Industry ramped up interest, not only borrowing from academic inventions but bringing scale, rigor, and reproducibility to the equation. Ongoing work tackles the persistent questions: how to lower metal content, recycle catalyst, and expand absorption to redder wavelengths for even milder, more selective transformations. In group meetings, new PhDs look to this catalyst for an edge, and established PIs treat it as trusted infrastructure in chemical innovation.

Toxicity Research

No catalyst escapes scrutiny for its environmental and human health hazards. Iridium-based catalysts, including this one, don’t easily break down, and there’s been caution around potential long-term ecotoxicity and bioaccumulation. Some studies suggest very low acute toxicity in mammalian cells, but the ecological costs and chronic exposure effects remain uneasy territory. Labs constantly seek to minimize catalyst loading, recover spent complexes, and adopt greener preparation strategies. Practitioners share experiences with contamination—pipettor tips, gloves, even notebook pages turn orange with tiny spills. Waste management isn’t bureaucratic red tape; it stems from direct concern about trace metals and the risk of building up persistent contaminants in soil and water over years of use. Looking to the future, more rigorous toxicity testing and lifecycle assessments will shape how widely this and related catalysts get used, especially beyond research scale.

Future Prospects

The story doesn’t end in the chemical flask. As synthetic photochemistry keeps getting smarter and greener, the ongoing challenge lies in making catalysts like Ir(dtbbpy)(ppy)2PF6 both high-performing and less resource-intensive. Cheaper metals, ligand redesign, and catalyst recycling get a lot of attention. Many see potential in combining high-throughput screening and artificial intelligence to crack the code on reaction optimization—no more trial and error, just predictive models and smarter targeting of catalyst properties. Some researchers steer their work toward new applications—medical imaging, targeted drug delivery, and even solar fuel production—taking cues from what makes this iridium complex so potent. The progress depends on keeping the conversation real: learning from day-to-day use, sharing knowledge openly, and never losing sight of the fine balance between breakthrough science and real-world responsibility.




What is the chemical structure of [Ir(dtbbpy)(ppy)₂]PF₆?

Breaking Down the Name

Ir(dtbbpy)(ppy)₂PF₆ carries a mouthful of letters, but each piece has real meaning. Ir means iridium, a heavy metal with surprising chemical abilities well beyond the classroom periodic table. dtbbpy stands for 4,4'-di-tert-butyl-2,2'-bipyridine, a bidentate ligand that controls electronic behavior around iridium. ppy is shorthand for 2-phenylpyridine, another ligand helping the metal do its thing. PF₆ points to the hexafluorophosphate counterion, a seat-filler in the world of ionic balance.

Zooming Into the Structure

A person who’s held a bottle of this compound knows the yellow color already hints at something interesting. At the core sits an iridium ion in a +3 oxidation state. This ion forms a tight complex with two cyclometalated 2-phenylpyridine ligands. “Cyclometalated” here describes how the ppy doesn’t just attach itself with its nitrogen atom—one of the carbons in the ring chain also links directly to iridium. That kind of bond gives the compound exciting photochemical properties because electrons are shared across a wide framework.

dtbbpy (4,4'-di-tert-butyl-2,2'-bipyridine) comes in as another pair of “arms” for the iridium, with the bipyridine nitrogens grabbing hold to stabilize the whole thing. Now, the whole core stays neutral, thanks to the cationic nature from the iridium and the three negative charges from ppy. PF₆ swoops in as an anion to balance that charge, floating off to the side—think less like a covalent handshake, more like a buddy attending a party for the free food.

Why This Chemical Structure Matters

The chunky tert-butyl groups from dtbbpy keep the molecule from glomming onto its neighbors in a crystal. This makes it easier to dissolve in organic solvents, which is really useful for a scientist running photoredox reactions in a flask. Researchers found that movies shot using this compound as a photocatalyst light up with better efficiency, because the electronic structure allows for efficient absorption of visible light and triplet energy transfer. In simple terms, this iridium complex acts as a tiny light-powered engine.

Some chemists spent years testing different combinations around the iridium core. By playing with the ligands, they tailored this molecule to control both the color and timing of its light emissions. That’s why Ir(dtbbpy)(ppy)₂PF₆ finds a home in organic synthesis labs across the world, driving photoredox catalysis for building complex molecules, modifying pharmaceuticals, and even making new kinds of materials.

Challenges and What Comes Next

Nobody claims iridium is cheap or abundant. With global supply coming from a handful of mines, sustainability raises real questions. Also, organic solvent use for these reactions draws environmental attention because many remain toxic and hard to clean up. Some labs work on recycling catalysts, cutting down the required amount of iridium per reaction. Others try swapping out the ligands for earth-friendlier options, or they chase alternatives from less precious metals like copper or iron.

A big part of moving forward involves training researchers to handle these compounds safely, not just to avoid loss but to minimize exposure. Sharing open data on catalyst recycling, reporting what fails as well as what works, and using greener solvents where possible all matter. As bright as Ir(dtbbpy)(ppy)₂PF₆ is under UV light, its story isn’t just about the chemistry. It’s also about who benefits, at what cost, and how science chooses to adapt when precious resources run thin.

What are the main applications of [Ir(dtbbpy)(ppy)₂]PF₆?

Lighting Up the Lab Bench

Iridium complexes like Ir(dtbbpy)(ppy)₂PF₆ have transformed the way chemists use light. This compound unlocks reactions that were once difficult or impossible. It absorbs visible light and channels that energy into new bonds and molecular structures. In my own lab sessions, swapping out heat for visible light made reactions safer and cleaner, and I saw firsthand that Ir-based catalysts rarely let us down.

Building New Molecules with Precision

The main stage for this complex sits in photoredox catalysis. Chemists use these reactions to stitch together pharmaceuticals, agrochemicals, and organic electronics. For drug discovery, new bonds often make or break a promising candidate. Ir(dtbbpy)(ppy)₂PF₆ acts like a traffic cop, steering electrons exactly where they need to go. One standout moment for this complex came in the synthesis of complex heterocycles, where traditional catalysts often stall out or cause side reactions. Published research shows it can cut down on unwanted byproducts during late-stage functionalization. That kind of selectivity not only saves time, but also reduces chemical waste—no small feat for labs thinking about sustainability.

From Discovery to Industry

Large-scale manufacturers have also taken notice. If you want to make a kilogram of a fine chemical, you want stable conditions and reproducible results. Ir(dtbbpy)(ppy)₂PF₆ brings that level of reliability. Scientists at Merck and other pharmaceutical companies have published studies showing how this catalyst scales without surprises. Not every photoredox catalyst can claim that.

Turning Sunlight into Useful Chemistry

Ir(dtbbpy)(ppy)₂PF₆ absorbs light in a sweet spot, so even ambient sunlight can drive chemical transformations. That opens up the door for new technologies, like solar-powered reactors. Chemical engineers see this as a way to lower energy bills and carbon emissions. I’ve seen prototype systems in academic demos where this iridium complex does the heavy lifting under nothing but sunlight. That's not just clever—it’s a huge step for green chemistry.

Changing the Way We Learn and Teach Chemistry

In the classroom, this complex makes chemistry relatable. Instead of just talking about reactions on a chalkboard, students can use small LEDs and cuvettes to do real synthesis work. Hands-on experience with photoredox reactions demystifies the topic for younger chemists. It’s satisfying to watch those early wins build curiosity and confidence, and Ir(dtbbpy)(ppy)₂PF₆ keeps things reliable, which helps students focus on learning instead of troubleshooting failed reactions.

Addressing Cost and Supply

There’s one hurdle to clear: iridium is rare and expensive. Researchers are exploring recyclable catalysts and new ligands to stretch every gram. Some teams are using flow chemistry to recover and reuse the catalyst after each run. This resourcefulness protects both budgets and access for smaller research groups. As more labs share their tricks, best practices will spread and reduce both financial and environmental cost.

Looking Forward

Chemists keep pushing the boundaries with Ir(dtbbpy)(ppy)₂PF₆. Every new reaction it enables adds to our ability to tackle real-world problems, from safer medications to cleaner chemical processes. In an age where innovation and sustainability matter more than ever, this compound stands as a bright example of what’s possible when light meets ingenuity.

How should [Ir(dtbbpy)(ppy)₂]PF₆ be stored and handled?

Why Good Habits Matter with This Complex

There’s nothing like cracking open a fresh vial of Ir(dtbbpy)(ppy)₂PF₆ to make you realize the gap between reading protocols and working at the bench. This iridium complex sits at the center of so many photoredox breakthroughs, giving chemists the spark needed to push reactions into new territory. Still, these gains only hold if chemists treat the material with the respect it demands.

The Light Factor: Out of Sight, Out of Trouble

Iridium-based complexes often react when exposed to light. One quick glance at the brilliant orange-red powder and it’s obvious — a sunbath on your desk spells trouble. I’ve seen materials degrade in a matter of hours under harsh lights. The best habit involves storing the compound in amber vials or wrapping containers in foil. Pick a drawer or a cabinet, somewhere away from those ever-present lab fluorescents. A moment spent protecting your sample saves weeks tracking down mysterious drops in yield later.

Keep Water at Bay

Lots of these organometallics show their displeasure with humidity through slow decomposition. If you ever watched crystals fade to sludge, you know the risk all too well. Tuck your bottle into a desiccator, or stash it in a glovebox if you want absolute peace of mind. Glass stoppers, Teflon-lined caps, and dry hands all play their roles. Don’t bring a bottle from a cool shelf into humid air and back again; the moisture condenses, leaving trouble in its wake.

Room Temperature or Colder?

Ir(dtbbpy)(ppy)₂PF₆ stands up to life at room temperature—some suppliers keep it on the shelf without trouble. Still, anyone running large-scale projects or keeping materials for months at a time should trust a refrigerator. Low temperatures slow unwanted changes, even if they aren’t obvious. I once lost a precious gram by trusting a stuffy storage space through two summers; never again.

Clean Tools, Clean Results

It’s tempting to reuse a spatula, especially on busy days. A moment’s laziness can mean contamination — and with iridium salts running hundreds per gram, those pennies add up. Dedicate tools, wash thoroughly, and keep the powder free from nicks and scraps. Scoop out the amount you need; don’t poke and prod repeatedly. The fewer trips in and out of the bottle, the better it handles over time.

Respect the Health Aspect

Personal safety commands more than just a lab coat and goggles. Although iridium complexes haven’t made headlines for toxicity, many of the ligands or additives used alongside them carry risks. Powders can disperse easily; do work in a fume hood. Gloves should stay on, and don’t treat it like sugar just because it looks harmless. Dispose of any waste in metal recovery bins or according to institutional guidelines. Treating these catalysts with caution preserves both results and health.

Thinking Beyond Today

It’s easy to focus on today’s reaction. Yet, I’ve come to value tracking every bottle’s journey—label dates, log usage, and check the powder’s appearance now and then. Small details make big differences down the line. Building good habits means cleaner science, better reproducibility, and more confidence in the results, not just for you but for anyone picking up your work later.

What solvents is [Ir(dtbbpy)(ppy)₂]PF₆ soluble in?

Why Solubility Even Matters for [Ir(dtbbpy)(ppy)₂]PF₆

Research labs rely on small, expensive bottles of [Ir(dtbbpy)(ppy)₂]PF₆ for photoredox catalysis, and no one wants to waste a milligram. Get that catalyst out of the bottle and into solution, and the synthetic magic starts. If it turns out stubborn, refusing to dissolve, experiments stall and ideas get put on the shelf. Messing around for too long with an insoluble compound leads to wasted time, wasted chemicals, and a frustrated bench chemist.

What Actually Works—Hands-On With Solvents

Working in an organic lab, a researcher gets a good feel for what solvents pull their weight. [Ir(dtbbpy)(ppy)₂]PF₆ loves polar, aprotic solvents. Acetonitrile stands near the front of the line. Drop the complex into a vial, add acetonitrile, spin it, and within a minute the deep red color blooms—a sure sign the iridium has gone into solution. Dimethylformamide (DMF) proves nearly as reliable, and for a stubborn batch, a gentle heat bath coaxes the last bit to dissolve.

Dimethyl sulfoxide (DMSO) works too, but comes with its own issues—smell sticks around long after cleanup, and traces left over can ruin NMR spectra. Chemists go with DMSO only when tighter solvents don’t do the job.

Methanol brings some surprises. The complex sits on the bottom, even with stirring. Water fares much worse; even small amounts encourage precipitation. For aqueous photoredox reactions, some workarounds help. A co-solvent like acetonitrile or DMF lets the iridium catalyst dissolve, so researchers can add water later for biological compatibility without crashing out their precious complex.

Chloroform and dichloromethane can dissolve small amounts, especially when starting with a thin film or concentrated stock. Even then, the concentration caps out quickly. Attempt to force a higher load and you get a cloudy mixture with the deep color stuck to the glass.

Documented Proof—What the Papers Say

Published studies agree with these bench findings. Organic Letters, Journal of the American Chemical Society, and Chem. Sci. papers specify acetonitrile or DMF as their go-to solvents for [Ir(dtbbpy)(ppy)₂]PF₆. Many support this with UV-Vis and NMR spectra to confirm full dissolution. Patent applications used by process chemists flag acetonitrile as preferred for scale-up, citing both solubility and “operational simplicity.”

Sticking to facts, the amount soluble can reach millimolar levels, ideal for catalysis. If a group pushes higher, crystals can form upon cooling or standing. That’s not a bug, sometimes it’s a feature: people purify crude iridium complexes from reaction mixtures using poor solvents, causing them to crash out cleanly.

Better Ways to Handle Solubility Issues

Standing at the fume hood, a clear plan heads off most problems. Pre-dissolving the iridium complex in a small amount of acetonitrile, then diluting with another solvent, keeps the whole reaction smooth. For setups demanding more water or long-winded reactions, designing the procedure around robust acetonitrile solubility pays off in the end.

Glovebox operations bring their own headaches but also help—anhydrous acetonitrile, stored under argon, dissolves [Ir(dtbbpy)(ppy)₂]PF₆ without oxidation worries. Labs with more budget can source dried DMF in septum-sealed bottles, avoiding water’s effect on solubility.

For students and newer researchers, keeping a crib sheet of reliable solvents builds confidence. Chemists learn from each other, trading insights with each messy, successful, or failed attempt. That’s the kind of knowledge that supports efficient, reproducible science and makes work at the bench a little less unpredictable.

What is the recommended purity and assay for [Ir(dtbbpy)(ppy)₂]PF₆ in research?

Purity Standards in Practical Research

Picking up a vial of Ir(dtbbpy)(ppy)₂PF₆, a chemist knows that purity isn’t just about hitting a number on a label. Yellows and reds might look impressive in a cuvette, but contamination tends to creep in quietly, messing up photoredox yields or catalysis results. Many protocols suggest purity levels above 95%, with 98% or better helping groups avoid headaches down the line. That little bit of extra assurance—confirmed by a sharp NMR and a flat baseline in HPLC—means fewer side products, less time puzzling over weak reactions, and cleaner data.

Assay Determination in Real Experiments

Assay tells you how much of your sample is actually the active compound. In simple terms, if the supplier says you’re buying 100 mg at 98% assay, you’re really getting 98 mg of the catalyst you want and 2 mg of something you don’t. I remember a project that burned several weeks of student time tracking down yield drops, only to realize the “off-brand” iridium salt sat at 88% assay and the remaining chunk was a stubborn inorganic salt. That little detail made all the difference in reproducibility.

Electrospray ionization mass spectrometry, NMR, and even elemental analysis all help pin down what’s present. Not every lab has these tools, so buying from trusted suppliers with data sheets and spectroscopic proof becomes essential. A quick check on Reaxys or Sigma-Aldrich’s catalog often shows purities and assays above 97% for this complex. Crowdsourced experience in research forums points to sticking with anything at or above the 98% mark for photoredox catalysis or high-stakes syntheses, keeping workflow almost hassle-free.

Why Purity and Assay Drive Research Success

Cutting corners on purity brings in variables nobody wants. Side-products hide in reaction mixtures, chromatograms show mysterious peaks, and nobody wants to explain why yields nosedive on a Monday morning. Stories come up every semester—an undergrad grabs an old bottle, doesn't check the COA, and the data stops making sense. Higher assay means clean reactions, confident reproducibility, and trust in the conclusions drawn. A single percent difference can mean days of additional troubleshooting or even a retraction down the line.

Publications from top labs publish their full spectra not just to show off but to let others replicate the chemistry. Strong publishing, transparent data, and consistent methods all start by using materials that actually contain what the label promises. In the crowded field of organometallic catalysis, trust in that bottle becomes the difference between a citation and a missed opportunity.

Finding Solutions to Purity-Related Setbacks

It’s easy to fall for a cheap supplier or skip a round of purification, especially on a tight grant budget. Scraping together money for the high-purity reagent wins out in the long run—my own lab saw cleaner reactions and less waste once we bit the bullet and switched sources. Keeping records of batch numbers, running a quick NMR or LC-MS after arrival, and building up a familiarity with supply reliability all form the backbone of reliable science.

No research team wants to explain away irreproducible results at a group meeting. Carefully chosen, properly assayed Ir(dtbbpy)(ppy)₂PF₆ means fewer variables and more trust in every experiment. Research slows down for nobody. Better upfront choices mean faster progress later.

[Ir(dtbbpy)(ppy)₂]PF₆
Names
Preferred IUPAC name iridium;2-(4-tert-butylphenyl)-6-(pyridin-2-yl)pyridine;1,1'-bipyridine;hexafluorophosphate
Other names Iridium(III) complex 12
Iridium bis(2-phenylpyridine)(di-tert-butylbipyridine) hexafluorophosphate
[Ir(dtbbpy)(ppy)2]PF6
Pronunciation /ir dɪˈtʌbˌpaɪ ˈpɪpi tuː pɪ ɛf sɪks/
Identifiers
CAS Number 1440510-14-9
Beilstein Reference 14626386
ChEBI CHEBI:139402
ChEMBL CHEMBL3985716
ChemSpider 22576482
DrugBank DB13955
ECHA InfoCard 100.225.329
Gmelin Reference 1262129
KEGG C19437
MeSH Dichlorido[2,2'-bipyridine]bis[2-phenylpyridine]iridium(III) hexafluorophosphate
PubChem CID 135561261
RTECS number VQ9810000
UNII N9I3Y9A8GV
UN number UN3082
CompTox Dashboard (EPA) DTXSID4073743
Properties
Chemical formula C56H54F6IrN4P
Molar mass 926.49 g/mol
Appearance Red solid
Odor Odorless
Density 1.52 g/cm³
Solubility in water Insoluble
log P 1.7
Vapor pressure Vapor pressure: negligible
Acidity (pKa) 23.7
Basicity (pKb) pKb ≈ 18.7
Magnetic susceptibility (χ) Diamagnetic
Refractive index (nD) 1.635
Dipole moment 1.42 D
Thermochemistry
Std molar entropy (S⦵298) 325.6 J·mol⁻¹·K⁻¹
Hazards
Main hazards Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
GHS labelling GHS02, GHS07, GHS09
Pictograms GHS07", "GHS09
Signal word Warning
Hazard statements H317: May cause an allergic skin reaction. H319: Causes serious eye irritation. H335: May cause respiratory irritation.
Precautionary statements P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P308+P313, P312, P337+P313, P361+P364
NFPA 704 (fire diamond) 1-1-0
PEL (Permissible) Not established
REL (Recommended) 0.01 – 0.03 mol%
IDLH (Immediate danger) Not established
Related compounds
Related compounds [Ru(bpy)₃]²⁺
[Ir(ppy)₃]
[Ir(dF(CF₃)ppy)₂(dtbbpy)]PF₆
[Ir(F-ppy)₃]
[Ir(bpy)₃]³⁺