Bis[4-(tert-butyl)phenyl]iodonium Tetra(nonafluoro-tert-butoxy)aluminate

Product Information

Molecular Formula:
C36H26AlF36IO4
Molecular Weight:
1360.43
Description
Bis[4-(tert-butyl)phenyl]iodonium Tetra(nonafluoro-tert-butoxy)aluminate is a powerful reagent utilized in biomedicine for its ability to catalyze various chemical reactions. It finds applications in the synthesis of organic compounds, aiding researchers in drug discovery and development. This product enables the modification of specific molecules, facilitating the creation of potential therapeutic agents for treating various diseases.
Synonyms
Bis[4-(tert-butyl)phenyl]iodonium Tetra(perfluoro-tert-butoxy)aluminate||||Bis[4-(tert-butyl)phenyl]iodonium Tetrakis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]aluminate
IUPAC Name
bis(4-tert-butylphenyl)iodaniumtetrakis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]alumanuide
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[Al-](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H26I.4C4F9O.Al/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)64*5-2(6,7)1(14,3(8,9)10)4(11,12)13/h7-14H,1-6H3/q+14*-1+3
InChI Key
VTGHKQSDLHXQNS-UHFFFAOYSA-N
Purity
>98.0%(T)(HPLC)
Appearance
White to Light yellow powder to crystaline

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
41
Rotatable Bond Count
12
Exact Mass
1360.01163 g/mol
Monoisotopic Mass
1360.01163 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
78
Formal Charge
0
Complexity
1290
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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