1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate, 99%

Description

CAS: 64536-78-3 | C31H50F6IrNP2 | 804.90 g/mol

1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate is used as a catalyst for hydrogenation of mono-, di-, tri-, and tetra-substituted substrates and the isomerization and hydroboration of alkenes. It is also used in isotope exchange reactions, especially the direct exchange of a hydrogen atom with its isotopes deuterium and tritium. Carbonyl groups are also known to direct the hydrogenation by the Crabtree catalyst is highly regioselective.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 64536-78-3
• Molecular Formula: C31H50F6IrNP2
• Molecular Weight (g/mol): 804.90
• MDL Number: MFCD00075097
• InChI Key: UJXHUUQZACSUOG-KJWGIZLLSA-N
• Synonym: crabtree's catalyst, unii-816rs2nbpn, 816rs2nbpn, 1,5-cyclooctadiene pyridine tricyclohexylphosphine iridium hexafluorophosphate, iridium i hexafluorophosphate, 1,5-cyclooctadiene pyridine tricyclohexylphosphine iridium i hexafluorophosphate, tricyclohexylphosphine 1,5-cyclooctadiene pyridine iridium i hexafluorophosphate, felkin-crabtree catalyst, crabtree's catalyst mi, crabtree's catalyst hexafluorophosphate
• PubChem CID: 5702647
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate
• SMILES: [Ir+].C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.C1C\C=C/CC\C=C/1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1

• Melting Point: 175°C (decomposition)
• Quantity: 250 mg
• Sensitivity: Moisture sensitive
• Solubility Information: Slightly soluble in acetone,dichloromethane,ethanol and diethyl ether; Insoluble in water.
• Formula Weight: 804.89
• Percent Purity: 99%
• Physical Form: Crystalline Powder
• Chemical Name or Material: 1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319 Causes skin irritation. Causes serious eye irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only