Cas no 14871-41-1 (Carbonylchlorobis(Triphenylphosphine)Iridium(I))

Carbonylchlorobis(triphenylphosphine)iridium(I) is a well-defined iridium(I) complex featuring a carbonyl ligand, a chloride, and two triphenylphosphine (PPh?) groups. This compound is notable for its stability and utility in homogeneous catalysis, particularly in hydrogenation and carbonylation reactions. The electron-rich iridium center, stabilized by the π-accepting carbonyl and σ-donating PPh? ligands, facilitates oxidative addition and reductive elimination processes, making it valuable in synthetic organic chemistry. Its crystalline form and air sensitivity require handling under inert conditions. The complex is often employed as a precursor for more reactive iridium species, offering controlled reactivity in catalytic cycles. Its well-characterized structure aids mechanistic studies in transition-metal catalysis.
Carbonylchlorobis(Triphenylphosphine)Iridium(I) structure
14871-41-1 structure
Product Name:Carbonylchlorobis(Triphenylphosphine)Iridium(I)
CAS No:14871-41-1
MF:C37H32ClIrOP2
MW:782.266905784607
MDL:MFCD00009590
CID:87425
PubChem ID:253660140
Update Time:2025-11-02

Carbonylchlorobis(Triphenylphosphine)Iridium(I) Chemical and Physical Properties

Names and Identifiers

    • Carbonylbis(triphenylphosphine)iridium(I)chloride
    • Bis(triphenylphosphine)iridiumcarbonyl chloride
    • carbonylchlorobis(triphenylphosphine)-iridium(I),
    • Chlorocarbonylbis(triphenylphosphine)iridium(I)
    • Carbonylchlorobis(triphenylphosphine)iridium(I)
    • Bis(triphenylphosphine)iridium(I) Carbonyl Chloride
    • Vaska's Catalyst
    • iridium(I)
    • VASKA'S COMPLEX
    • IrCl(CO)(PPh3)2
    • Carbonylchloro bis(triphenylphosphine)
    • carbonylchlorobis(triphenylphosphine)iridium
    • carbonylchlorobis(triphenylphosphine)-iridiu
    • Carbonylchlorobis(triphenylphosphine)iridium(Ⅰ)
    • Carbonylbis(triphenylphosphine)iridium(I) Chloride
    • AKOS022186674
    • formaldehyde;iridium;triphenylphosphane;chloride
    • MFCD00009590
    • CARBONYLBIS(TRIPHENYLPHOSPHINE)IRIDIUM(I ) CHLORIDE
    • Carbonylchloro bis(triphenylphosphine)iridium(I)
    • 14871-41-1
    • XBRIWYFLOPNYFT-UHFFFAOYSA-M
    • formaldehyde bis(triphenylphosphine) iridium chloride
    • Carbonylchlorobis(Triphenylphosphine)Iridium(I)
    • MDL: MFCD00009590
    • Inchi: 1S/2C18H15P.CH2O.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;1H2;1H;/p-1
    • InChI Key: XBRIWYFLOPNYFT-UHFFFAOYSA-M
    • SMILES: [Ir].[Cl-].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.O=C

Computed Properties

  • Exact Mass: 780.10900
  • Monoisotopic Mass: 782.12462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 214
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: -1
  • Topological Polar Surface Area: 1

Experimental Properties

  • Color/Form: Lemon yellow crystals. Stable in air.
  • Melting Point: 215°C
  • Solubility: Soluble in chloroform, toluene. Slightly soluble in acetone, alcohol
  • PSA: 27.18000
  • LogP: 7.37110
  • λmax: 385(lit.)
  • Solubility: Not determined

Carbonylchlorobis(Triphenylphosphine)Iridium(I) Security Information

  • Symbol: GHS06
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H331,H302,H312
  • Warning Statement: P261,P280,P304
    P340,P311,P405,P501a
  • Hazardous Material transportation number:UN2811
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S22-S24/25
  • Hazardous Material Identification: Xn
  • Packing Group:III
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • HazardClass:6.1
  • PackingGroup:III
  • TSCA:Yes

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Carbonylchlorobis(Triphenylphosphine)Iridium(I) Suppliers

Amadis Chemical Company Limited
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(CAS:14871-41-1)Carbonylchlorobis(Triphenylphosphine)Iridium(I)
Order Number:A884337
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Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:11
Price ($):218.0/871.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:14871-41-1)碳雙(三苯基膦)氯化銥
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:53
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Carbonylchlorobis(Triphenylphosphine)Iridium(I) Related Literature

Additional information on Carbonylchlorobis(Triphenylphosphine)Iridium(I)

Carbonylchlorobis(Triphenylphosphine)Iridium(I) (CAS No. 14871-41-1): Properties, Applications, and Market Insights

Carbonylchlorobis(Triphenylphosphine)Iridium(I) (CAS No. 14871-41-1) is a highly specialized organometallic compound that has garnered significant attention in both academic research and industrial applications. This compound, often abbreviated as Ir(CO)Cl(PPh3)2, is a coordination complex featuring iridium in the +1 oxidation state, coordinated by a carbonyl ligand, a chloride ion, and two triphenylphosphine groups. Its unique structure and reactivity make it a valuable tool in catalysis, material science, and photochemistry.

The physical and chemical properties of Carbonylchlorobis(Triphenylphosphine)Iridium(I) contribute to its versatility. It typically appears as a yellow to orange crystalline solid, soluble in organic solvents like dichloromethane and toluene but insoluble in water. The compound exhibits stability under inert atmospheres but can degrade upon prolonged exposure to air or moisture. Its molecular weight is approximately 796.19 g/mol, and it is often characterized using techniques such as NMR spectroscopy, X-ray crystallography, and infrared spectroscopy, which confirms the presence of the carbonyl group through its characteristic stretching frequency.

One of the most prominent applications of Carbonylchlorobis(Triphenylphosphine)Iridium(I) is in homogeneous catalysis. The compound serves as a precursor for various iridium-based catalysts used in hydrogenation, carbonylation, and C-H bond activation reactions. Researchers have explored its utility in green chemistry initiatives, where it facilitates sustainable synthetic routes with high atom economy and reduced waste. For instance, it has been employed in the catalytic conversion of biomass-derived feedstocks into value-added chemicals, aligning with the global push toward renewable resources.

In the realm of photophysics and optoelectronics, Ir(CO)Cl(PPh3)2 has shown promise due to its luminescent properties. It is a subject of interest in the development of organic light-emitting diodes (OLEDs) and photocatalytic systems. The compound's ability to undergo photoinduced electron transfer makes it a candidate for solar energy conversion technologies, a hot topic given the increasing demand for clean energy solutions. Recent studies have also investigated its potential in light-driven catalysis, where it can mediate reactions under mild conditions, reducing energy consumption.

The market dynamics for Carbonylchlorobis(Triphenylphosphine)Iridium(I) reflect its niche but growing demand. As industries seek more efficient and sustainable catalytic processes, the need for high-purity iridium complexes has risen. Suppliers often highlight its role in R&D laboratories and specialty chemical manufacturing, where it is used to develop novel materials and pharmaceuticals. Pricing trends are influenced by the availability of iridium, a rare and expensive platinum-group metal, making cost-effective synthesis and recycling methods a focal point for researchers.

Frequently asked questions about Carbonylchlorobis(Triphenylphosphine)Iridium(I) include inquiries about its synthesis methods, stability, and handling precautions. Many users search for alternatives or derivatives that offer similar reactivity but at a lower cost. Others explore its compatibility with other ligands or metals to tailor its properties for specific applications. These queries underscore the compound's adaptability and the ongoing innovation in its use.

In summary, Carbonylchlorobis(Triphenylphosphine)Iridium(I) (CAS No. 14871-41-1) stands out as a multifaceted compound with significant implications in catalysis, energy, and materials science. Its unique properties and applications align with contemporary trends in sustainability and technological advancement, ensuring its continued relevance in both academic and industrial settings. As research progresses, new opportunities for this iridium complex are likely to emerge, further solidifying its role in modern chemistry.

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Amadis Chemical Company Limited
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Price ($):218.0/871.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:14871-41-1)碳雙(三苯基膦)氯化銥
LE25923061
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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