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
• CAS: 1228185-09-8
• Category: Heterocyclic Organic Compound
• 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
• 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
• 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

Custom 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.