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Safety Information

693774

Sigma-Aldrich

Chiralyst P1271

Umicore

Synonym(s):

Bis(1,5-cyclooctadiene)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

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About This Item

Linear Formula:
(Ir(C8H12)2)+ (B(C8H3F6)4)-
CAS Number:
666826-16-0
Molecular Weight:
1271.79
MDL number:
MFCD10567389
UNSPSC Code:
12161600
PubChem Substance ID:
329761619
NACRES:
NA.22

Quality Level

100

form

solid

reaction suitability

core: iridium
reagent type: catalyst

SMILES string

[Ir+].C1CC=CCCC=C1.C2CC=CCCC=C2.FC(F)(F)c3cc(cc(c3)C(F)(F)F)[B-](c4cc(cc(c4)C(F)(F)F)C(F)(F)F)(c5cc(cc(c5)C(F)(F)F)C(F)(F)F)c6cc(cc(c6)C(F)(F)F)C(F)(F)F

InChI

1S/C32H12BF24.2C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;+1/b;2*2-1-,8-7-;

InChI key

YQXKTVMJDKWGHI-AUUWQFPRSA-N

Related Categories

Application

Catalyst for:
  • Asymmetric hydrogenation reactions
  • Directed cyclodehydration reaction
  • Direct prenylation via C-H oxidative addition-allene insertion
  • Double intramolecular hydroalkoxylation
  • Intramolecular hydroamination reactions
  • Directed C-H bond cleavage
  • Imine vinylation reactions

Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis

Legal Information

Product of Umicore

Additional information available at www.pmc.umicore.com

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

693774-BULK:
693774-500MG:
693774-2G:
693774-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN3590
MKCH9707
MKCC1884
MKBR4669V
18298PJV

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Articles

Umicore Precatalysts

We are happy to offer a series of precatalysts for asymmetric catalysis and Pd based cross coupling catalysis. Our partnership with Umicore allows us to offer a portfolio of metal complexes with batch-to-batch consistency for a plethora of catalytic reactions.

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