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About This Item
Empirical Formula (Hill Notation):
C35H53ClN2
CAS Number:
Molecular Weight:
537.26
MDL number:
UNSPSC Code:
12352005
NACRES:
NA.22
Product Name
1,3-Bis(2,6-di(3-pentyl)phenyl)imidazolium chloride, ≥95%
SMILES string
[Cl-].[n+]2(c[n](cc2)c3c(cccc3C(CC)CC)C(CC)CC)c1c(cccc1C(CC)CC)C(CC)CC
InChI
1S/C35H53N2.ClH/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;/h17-29H,9-16H2,1-8H3;1H/q+1;/p-1
InChI key
ODQOSTRWDUNLQB-UHFFFAOYSA-M
assay
≥95%
form
powder
mp
362-364 °C
Quality Level
Related Categories
Application
1,3-Bis(2,6-di(3-pentyl)phenyl)imidazolium chloride is an NHC ligand used in a variety of Pd catalyzed cross-coupling reactions.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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