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1,3-Di-tert-butylbenzimidazolium chloride

Catalog Number
ACM946607109
Product Name
1,3-Di-tert-butylbenzimidazolium chloride
Structure
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CAS
946607-10-9
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Synonyms
1,3-Di-tert-butylbenzimidazolium chloride;946607-10-9;1,3-Di-tert-butylbenzimidazolium chloride, 96%;SCHEMBL17558043;CTK8F2990;DTXSID90584844;OR450040;1,3-Di-tert-butyl-1H-benzimidazol-3-ium chloride;
IUPAC Name
1,3-ditert-butylbenzimidazol-3-ium;chloride;
Molecular Weight
266.813g/mol
Molecular Formula
C15H23ClN2;
Canonical SMILES
CC(C)(C)N1C=[N+](C2=CC=CC=C21)C(C)(C)C.[Cl-];
InChI
InChI=1S/C15H23N2.ClH/c1-14(2,3)16-11-17(15(4,5)6)13-10-8-7-9-12(13)16;/h7-11H,1-6H3;1H/q+1;/p-1;
InChI Key
CMQDFXSMZLANNA-UHFFFAOYSA-M;
Complexity
244
Covalently-Bonded Unit Count
2
Exact Mass
266.155g/mol
H-Bond Acceptor
1
Heavy Atom Count
18
Monoisotopic Mass
266.155g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
8.8A^2
Application
1,3-Di-tert-butylbenzimidazolium chloride serves as a versatile reactant in the synthesis of several important chemical structures. It is utilized in the preparation of NHC borane complexes through Lewis base exchange, enabling advancements in catalysis and materials science. Additionally, it is essential for creating fluorescent 5,5'-bibenzimidazolylidenes, which are valuable in optical and electronic applications, and for synthesizing donor-acceptor triazenes, compounds that have potential uses in organic electronics and chemical sensing.
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