Bis(4-tert-butylphenyl)iodonium p-toluenesulfonate

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Product Information

Molecular Formula:
C27H33IO3S
Molecular Weight:
564.52
Description
Cationic photoinitiator. Photoacid generator.
Synonyms
bis(4-tert-butylphenyl)iodanium; 4-methylbenzenesulfonate; Bis(4-tert-butylphenyl)iodoniump-toluenesulfonate; 4,4''-Di-tert-butyldiphenyliodoniump-toluenesulfonate; 131717-99-2; 142342-33-4
IUPAC Name
bis(4-tert-butylphenyl)iodanium4-methylbenzenesulfonate
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H26I.C7H8O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-14H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key
UEJFJTOGXLEPIV-UHFFFAOYSA-M
Melting Point
237-240 °C (lit.)
Purity
95%
Application
Cationic photoinitiator.

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
564.11951 g/mol
Monoisotopic Mass
564.11951 g/mol
Topological Polar Surface Area
65.6Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
465
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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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