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

The molecular formula is C27H36Cl2N2.

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

The molecular weight is 459.5 g/mol.

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

The IUPAC name is 2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride.

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

The InChIKey is JDMACANGISWEGX-UHFFFAOYSA-M.

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

The Canonical SMILES is CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C).[Cl-]

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

The CAS number is 1228185-09-8.

What is the European Community (EC) Number of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The European Community (EC) Number is 811-743-2.

What is the hydrogen bond donor count of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The hydrogen bond acceptor count is 1.

How many covalently-bonded units are there in 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

There are 2 covalently-bonded units.