337498

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

85%

• Synonym(s): (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-Ir(I) PF₆, Crabtree’s catalyst, Iridium(I) hexafluorophosphate (1,5-Cyclooctadiene)-(pyridine)-(tricyclohexylphosphine) complex, [Ir(cod)(PCy3)(py)]PF6
• Empirical Formula (Hill Notation): C₃₁H₅₀F₆IrNP₂
• CAS Number: 64536-78-3
• Molecular Weight: 804.89
• MDL number: MFCD00075097
• UNSPSC Code: 12161600
• PubChem Substance ID: 24860483
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 85%
• reaction suitability: core: iridium; reagent type: catalyst
• mp: 175 °C (dec.) (lit.)
• SMILES string: [Ir+].c1ccncc1.F[P-](F)(F)(F)(F)F.C2CC=CCCC=C2.C3CCC(CC3)P(C4CCCCC4)C5CCCCC5
• InChI: 1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;+1/b;2-1-,8-7-;;;
• InChI key: UJXHUUQZACSUOG-KJWGIZLLSA-N

Description

Application

Catalyst for alkene hydrogenation, isomerization, and hydroboration; also for hydrogen isotope exchange reaction.

Homogeneous hydrogenation catalyst hydroboration catalyst.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves