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29590 Sigma-Aldrich

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

≥99.0% (C)

Synonym: (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, [Ir(cod)(PCy3)(py)]PF6

  • CAS Number 64536-78-3

  • Empirical Formula (Hill Notation) C31H50F6IrNP2

  • Molecular Weight 804.89

  •  MDL number MFCD00075097

  •  PubChem Substance ID 57648382

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Properties

Related Categories Catalysis and Inorganic Chemistry, Chemical Synthesis, Iridium Catalysts More...
Quality Level   100
assay   ≥99.0% (C)
reaction suitability   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

Packaging

250 mg in glass bottle

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Catalyst for the homogeneous hydrogenation of olefins

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

Robert Crabtree Group – Professor Product Portal

From our library of Articles, Sigma-Aldrich presents Robert Crabtree Group – Professor Product Portal
Keywords: Asymmetric synthesis, Hydrogenations

Peer-Reviewed Papers
15

References

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