1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate

CAS

286014-25-3

Catalog Number

ACM286014253-1

Category

Organic Phosphine Compounds

Molecular Weight

476.40

Molecular Formula

C27H37BF4N2

MSDS COA Spec Sheet

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Specification

Synonyms

N,N'-Bis(2,6-diisopropylphenyl)imidazoliumtetrafluoroborate

IUPAC Name

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;tetrafluoroborate

Canonical SMILES

[B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C

InChI

NTJNPOPDNJTGKC-UHFFFAOYSA-N

InChI Key

InChI=1S/C27H37N2.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1(3,4)5/h9-21H,1-8H3;/q+1;-1

Appearance

white solid

Exact Mass

476.29900

Hazard Statements

Xi: Irritant;

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C

Safety Description

37/39-26

What is the molecular formula of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The molecular formula is C27H37BF4N2.

What are the synonyms for 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The synonyms are 286014-25-3, 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate, and 1,3-Bis-(2,6-diisopropylphenyl)-imidazolium tetrafluoroborate.

What is the molecular weight of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The molecular weight is 476.4 g/mol.

What is the IUPAC name of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

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

What is the InChI of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The InChI is InChI=1S/C27H37N2.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1(3,4)5/h9-21H,1-8H3;/q+1;-1.

What is the InChIKey of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The InChIKey is NTJNPOPDNJTGKC-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The canonical SMILES is [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C).

What is the CAS number of 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate?

The CAS number is 286014-25-3.

Is 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium tetrafluoroborate a canonicalized compound?

Yes, it is a canonicalized compound.