1,3-Di-tert-butylimidazolium tetrafluoroborate

Catalog Number	ACM263163173-2
CAS	263163-17-3
Structure
Synonyms	1,3-Di-tert-butyl-1H-imidazol-3-ium tetrafluoroborate
IUPAC Name	1,3-ditert-butylimidazol-1-ium;tetrafluoroborate
Molecular Weight	268.10
Molecular Formula	C11H21N2.BF4
Canonical SMILES	[B-](F)(F)(F)F.CC(C)(C)N1C=C[N+](=C1)C(C)(C)C;
InChI	OOFLHRYFPBGTPQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C11H21N2.BF4/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;2-1(3,4)5/h7-9H,1-6H3;/q+1;-1
Melting Point	157-198 °C
Purity	98%+
Appearance	Solid
Application	1,3-Di-tert-butylimidazolium tetrafluoroborate may be used in the preparation of di-μ-iodobis(1,3-di-tert-butylimidazolin-2-ylidene)diiododipalladium(II), a palladium(II)-NHC complex, which can catalyze Mizoroki-Heck reaction
Storage	Argon filling
Complexity	173
Covalently-Bonded Unit Count	2
Exact Mass	268.173g/mol
Heavy Atom Count	18
Isomeric SMILES	[B-](F)(F)(F)F.CC(C)(C)N1C=C[N+](=C1)C(C)(C)C
Monoisotopic Mass	268.173g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	8.8A^2