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2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride

Catalog Number
ACM1228185098-2
Product Name
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride
Structure
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride
CAS
1228185-09-8
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Synonyms
1,3-Bis(2,6-Di-I-Propylphenyl)-2-Chloroimidazolium Chloride
IUPAC Name
2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
Molecular Weight
459.49
Molecular Formula
C27H36Cl2N2
InChI
JDMACANGISWEGX-UHFFFAOYSA-M
InChI Key
InChI=1S/C27H36ClN2.ClH/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;/h9-20H,1-8H3;1H/q+1;/p-1
Melting Point
283-285 °C
Purity
96%
Appearance
White solid
Complexity
453
Covalently-Bonded Unit Count
2
Exact Mass
458.226g/mol
H-Bond Acceptor
1
Heavy Atom Count
31
Isomeric SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
Monoisotopic Mass
458.226g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
8.8A^2
Application
PhenoFluorMix is a bench-stable mixture of 07-0620 and cesium fluoride used for the deoxyfluorination of phenols, heterocyclic alcohols and structurally complex alcohols.
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