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Carbonylchlorobis(triphenylphosphine)iridium(I)

Carbonylchlorobis(triphenylphosphine)iridium(I)

CAS Number: 14871-41-1

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Features

CAS Number:

14871-41-1

Linear Formula:

IrCl(CO)[P(C6H5)3]2

Purity:

>99%

Form:

Yellow crystalline solid

 

Product Description
Carbonylchlorobis(triphenylphosphine)iridium(I), commonly referred to as Iridium(I) chloride carbonyl bis(triphenylphosphine), is a high-purity coordination complex featuring iridium in the +1 oxidation state. With two triphenylphosphine ligands and one carbonyl ligand coordinated to an iridium center, this compound plays a significant role in homogeneous catalysis, organometallic synthesis, and advanced material research.

This yellow crystalline complex exhibits excellent solubility in non-polar organic solvents and serves as a valuable precursor for a wide range of iridium-based catalysts. Owing to its electron-rich and structurally stable characteristics, it is widely employed in hydrogenation, hydroformylation, and other catalytic processes under mild conditions.

 


 

🔹 Features & Properties

📌 Molecular Formula: IrCl(CO)[P(C₆H₅)₃]₂

📌 Molecular Weight: ~771.12 g/mol

📌 Appearance: Yellow crystalline solid

📌 Purity: >99%

📌 Solubility: Soluble in organic solvents such as chloroform, toluene, and dichloromethane

📌 Stability: Air-stable in solid form; moisture-sensitive in solution

📌 Structure: Square planar coordination geometry

 


 

🚀 Applications & Related Industries

Homogeneous Catalysis: Key precursor in hydrogenation, carbonylation, and hydroformylation reactions

Fine Chemical Synthesis: Used in selective bond activation and ligand exchange reactions

Organometallic Chemistry: Widely used in academic and industrial research

OLED and Photonic Materials: Starting material for iridium-based emitters

Pharmaceutical R&D: Involved in synthesis of intermediates under mild catalytic conditions

 


 

📖 Synonyms

Iridium(I) carbonyl chloride bis(triphenylphosphine)

IrCl(CO)(PPh₃)₂

Iridium chloride carbonyl bis(triphenylphosphine)

 


 

Health & Safety Information

Hazard Statements: Harmful if swallowed or inhaled

⚠ Use protective gloves, safety goggles, and handle in a fume hood

Store in a dry, well-ventilated area, away from light and moisture

Dispose of according to local environmental regulations and safety codes

 


 

🏭 Production Method & Equipment
This complex is synthesized via ligand substitution reaction between iridium chloride and triphenylphosphine in a carbonylating environment under inert gas. The reaction is carried out in anhydrous organic solvents and followed by purification through crystallization or column chromatography.

 


 

📐 Size & Customization

Available in: 100 mg, 1 g, 5 g, 10 g, and bulk quantities

Custom purity grades and special packaging available upon request

 


 

📋 Certifications & Quality Assurance

Conforms to ASTM, GB, EN, and BS standards

COA, MSDS, and NMR/Spectroscopic data available

High-purity batches produced under ISO 9001 certified quality management

Third-party analytical testing available upon request

 

 


Lead Time & MOQ

Lead Time: 7–10 working days depending on order quantity

MOQ: 100 mg (lab use); 1 g (industrial/R&D use)

 


 

💬 FAQs (Frequently Asked Questions)

Q1: What solvents is this compound soluble in?
A1: It is soluble in organic solvents like dichloromethane, chloroform, and toluene.

Q2: What is the primary use of this iridium complex?
A2: It is used extensively in homogeneous catalysis, especially in hydrogenation and hydroformylation reactions.

Q3: Is it air or moisture sensitive?
A3: It is stable in solid form under ambient conditions but should be handled under inert atmosphere when in solution.

 


 

🧭 How to Choose the Product

Choose standard >99% purity for most catalytic and synthetic applications

Specify preferred form (powder, crystalline, or pre-dissolved solutions) if applicable

Consider packaging options depending on scale: lab packs or industrial drums

 


 

📏 Product Standards

Conforms to ASTM, GB, EN, and BS standards

Additional compliance available upon request (e.g., RoHS, REACH)

 


 

🧪 Production & Quality Control

Synthesized under inert conditions in controlled environments

Final product is analyzed by NMR, IR, MS, and elemental analysis

Packaged in moisture-proof vials with tamper-evident seals

Traceable batch ID for every shipment

 


 

📦 Shipping & Delivery Information

Vacuum-sealed or argon-filled glass vials for moisture-sensitive materials

Available in laboratory-scale or bulk packaging options

Delivered with full documentation: COA, MSDS, analytical data sheets

 


 

🌱 Environmental Impact & Sustainability

Precious metal recycling programs available for used iridium catalysts

Manufactured with minimal waste and solvent recycling procedures

Compliant with environmental regulations for hazardous materials

 


 

🧼 Maintenance & Care Instructions

Keep container tightly sealed under inert atmosphere

Avoid exposure to moisture, light, and air in open solutions

Best stored at room temperature in a dry cabinet

 


 

🧩 Differentiation Between Products
Compared to other iridium phosphine complexes, Carbonylchlorobis(triphenylphosphine)iridium(I) offers superior catalytic activity and solution stability. The presence of a CO ligand enhances its electron-donating ability, making it particularly useful in mild condition transformations.

 


 

📩 Contact Us
Reach out to our team for pricing, technical data, COA, or customized solutions tailored to your application needs.

 


Chemical Identifiers

Linear Formula

IrCl(CO)[P(C6H5)3]2

MDL Number

MFCD00009590

EC No.

238-941-6

Pubchem CID

84678

IUPAC Name

carbon monoxide; iridium; triphenylphosphane; chloride

SMILES

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ir]

InchI Identifier

InChI=1S/ 2C18H15P.CO.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;;1H;/p-1

InchI Key

VSPLSJCNZPDHCN-UHFFFAOYSA-M

Carbonylchlorobis(triphenylphosphine)iridium(I) Properties (Theoretical)

Compound Formula

C37H30ClIrOP2

Molecular Weight

780.251

Appearance

Yellow crystalline solid

Melting Point

215°C

Boiling Point

360 °C

Density

N/A

Solubility in H2O

Insoluble

Exact Mass

780.108968

Monoisotopic Mass

780.108968

Charge

-1

Carbonylchlorobis(triphenylphosphine)iridium(I) Health & Safety Information

Signal Word

Danger

Hazard Statements

H301+H311+H331-H315-H319

Hazard Codes

T

Precautionary Statements

P261-P280h-P304+P340-P311a-P405-P501a

Risk Codes

20/21/22

Safety Statements

4-9-20-36/37/39-45-60

RTECS Number

N/A

Harmonized Tariff Code

2843.90

Transport Information

UN2811 6.1/PG III

WGK Germany

N/A

GHS Pictograms

GHS06 Skull and Crossbones

image002

GHS07 Exclamation Point

image003

 

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