1,3-Di-t-butylimidazolium chloride

Name: 1,3-Di-t-butylimidazolium chloride
Brand: ChemScene
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CAS No. 157197-54-1
Cat. No. CS-0086713
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+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,3-Di-t-butylimidazolium chloride|CS-0086713

Structure of 157197-54-1

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Description

1,3-Di-t-butylimidazolium chloride is a sterically hindered ionic liquid precursor featuring two bulky tert-butyl groups flanking the imidazolium core. This substitution enhances thermal stability and reduces nucleophilic attack at the C2 position, enabling robust performance in catalytic systems and electrochemical applications under demanding conditions.

Application

1,3-Di-t-butylimidazolium chloride serves as a stable, bench-ready imidazolium salt that functions as a versatile precursor in the synthesis of N-heterocyclic carbenes (NHCs). Its sterically protected structure enhances shelf stability and facilitates clean carbene generation under mild conditions. The chloride counterion enables straightforward ion exchange and supports applications in transition-metal catalysis, organocatalysis, and the construction of functionalized heterocyclic scaffolds with high reproducibility.

General Information

CAS No. 157197-54-1
Cat. No. CS-0086713
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₁ClN₂
Molecular Weight 216.75
Synonym(s) 1,3-di-tert-Butyl-1H-imidazol-3-ium chloride
SMILES CC(C)(C)N1C=C[N+](C(C)(C)C)=C1.[Cl-]

Computational Chemistry Data

TPSA 8.81
LogP -0.7104
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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1,3-Di-t-butylimidazolium chloride

CAS No. 157197-54-1

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