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Safety Information

766445

Sigma-Aldrich

(Acetonitrile)[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I) tetrafluoroborate

Synonym(s):

IPr Au(MeCN)BF4

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About This Item

Empirical Formula (Hill Notation):
C29H39AuBF4N3
CAS Number:
1138834-31-7
Molecular Weight:
713.41
MDL number:
MFCD18827652
UNSPSC Code:
12161600
PubChem Substance ID:
329767237
NACRES:
NA.22

form

solid

Quality Level

100

reaction suitability

core: gold
reagent type: catalyst

impurities

(May contain up to 15% of the chloride salt 696277.)

mp

162-167 °C (decomposition)

SMILES string

CC#N.F[B-](F)(F)F.CC(C)c1cccc(C(C)C)c1N2C=CN(C2=[Au+])c3c(cccc3C(C)C)C(C)C

InChI

1S/C27H36N2.C2H3N.Au.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-3;;2-1(3,4)5/h9-16,18-21H,1-8H3;1H3;;/q;;+1;-1

InChI key

YZYFYLAQORXITI-UHFFFAOYSA-N

Application

Useful in the synthesis of pyrroles by amino-Claisen rearrangement

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

766445-BULK:
766445-500MG:4548173331317
766445-VAR:
766445-100MG:4548173331300

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Certificates of Analysis (COA)

Lot/Batch Number
SHBG7082V
SHBC5996

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