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

Catalog Number	ACM1228185098-2
CAS	1228185-09-8
Structure
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
Canonical 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-];
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
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.
Complexity	453
Covalently-Bonded Unit Count	2
Exact Mass	458.226g/mol
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

Q&A

What is the molecular weight of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The molecular weight is 459.49414.

What are the product categories that 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride falls under?

It falls under Achiral Nitrogen and NHC categories.

What is the melting point of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The melting point is 283-285 °C.

How is 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride stored?

It is stored under inert gas (nitrogen or Argon) at 2-8 °C.

What is the color of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The color is White to Almost white.

What is a reaction that involves 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

PhenoFluorMix is a reaction involving 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride.

What are some uses of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

It is used in the deoxyfluorination of phenols and in the synthetic preparation of aryl fluorides.

What is another name for 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

Its synonym is IPrCl HCl.

How is 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride classified in terms of use with radiolabeling?

It is used in conjunction with other compounds to incorporate the [18F]fluoride radiolabel site specifically into polypeptides for PET imaging.

What type of compounds can be fluorinated using 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

Phenols can be fluorinated using this compound.