1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride

Name: 1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride
Brand: ChemScene
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CAS No. 1218778-19-8
Cat. No. CS-0698770
Molecule weight949.66
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride|CS-0698770

Structure of 1218778-19-8

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General Information

CAS No. 1218778-19-8
Cat. No. CS-0698770
Purity ≥97%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆₉H₅₇ClN₂
Molecular Weight 949.66
Synonym(s) None
SMILES [Cl-].CC1=CC(C(C2=CC=CC=C2)C2=CC=CC=C2)=C(N2C=C[N+](=C2)C2=C(C=C(C)C=C2C(C2=CC=CC=C2)C2=CC=CC=C2)C(C2=CC=CC=C2)C2=CC=CC=C2)C(=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

Application

1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride serves as a sterically encumbered N-heterocyclic carbene precursor with enhanced bench stability and improved solubility in organic media. Its bulky aryl substituents confer high functional group tolerance and resistance to decomposition, enabling reliable use in palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations. Functions effectively as a robust ligand scaffold in homogeneous catalysis and facilitates catalyst recovery in recyclable systems.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 8.81
LogP 13.0956
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 14

Key Words

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1,3-Bis(2,6-dibenzhydryl-4-methylphenyl)-1H-imidazol-3-ium chloride

CAS No. 1218778-19-8

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