1,3-Bis(2,4,6-trimethylphenyl)imidazolinium chloride

CAS

173035-10-4

Catalog Number

ACM173035104-2

Category

Organic Phosphine Compounds

Molecular Weight

342.91

Molecular Formula

C21H27ClN2

MSDS COA Spec Sheet

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Specification

Synonyms

N,N'-(2,4,6-Trimethylphenyl)dihydroimidazolium chloride;SIMes.HCl; 1,3-Dimesitylimidazolidinium chloride;4,5-Dihydro-1,3-bis(2,4,6-trimethylphenyl)-1H-imidazolium chloride;4,5-Dihydro-1,3-dimesityl-1H-imidazolium chloride

IUPAC Name

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-1-ium;chloride

Canonical SMILES

CC1=CC(=C(C(=C1)C)[NH+]2CCN(C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]

InChI Key

HOOKQVAAJVEFHV-UHFFFAOYSA-N

Melting Point

280-286°C

Appearance

white solid

Application

N-Heterocyclic Carbene Ligands
Precursor to an N-heterocyclic carbene catalysts

Storage

Store at 2-8°C, filled with argon

Exact Mass

344.20200

Hazard Statements

Xi: Irritant;

Safety Description

S26-S37/39

What is the molecular formula of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The molecular formula is C21H27ClN2.

What is the molecular weight of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The molecular weight is 342.9 g/mol.

What is the IUPAC name of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium chloride.

What is the CAS number of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The CAS number is 173035-10-4.

How many hydrogen bond donor counts does 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride have?

It has 2 rotatable bond counts.

What is the exact mass of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The exact mass is 342.1862766 g/mol.

What is the topological polar surface area of 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride?

The topological polar surface area is 6.2Å².

Is 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride canonicalized?

Yes, it is canonicalized according to PubChem.