TRIS(4-TERT-BUTYLPHENYL)SULFONIUM

Inquiry

Molecular Formula:

[(CH3)3CC6H4]3SCF3SO3

Molecular Weight:

580.76

CAS Number:

134708-14-8

Catalog Number:

134708-14-8

Product Information

Molecular Formula:

[(CH3)3CC6H4]3SCF3SO3

Molecular Weight:

580.76

Description

Cationic photoinitiator. Photoacid generator.

Synonyms

TRIS(4-TERT-BUTYLPHENYL)SULFONIUM; TRIS(4-TERT-BUTYLPHENYL)SULFONIUM TRIFLA

IUPAC Name

trifluoromethanesulfonatetris(4-tert-butylphenyl)sulfanium

Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S.CHF3O3S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;2-1(3,4)8(5,6)7/h10-21H,1-9H3;(H,5,6,7)/q+1;/p-1

InChI Key

HHMQUQRJNPTPAJ-UHFFFAOYSA-M

Boiling Point

>220 °C

Melting Point

250-253ºC(lit.)

Flash Point

235.4 °F

Purity

95%

Application

Cationic photoinitiator.

Refractive Index

n20/D 1.5 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

580.22927194 g/mol

Monoisotopic Mass

580.22927194 g/mol

Topological Polar Surface Area

66.6Å²

Heavy Atom Count

Formal Charge

Complexity

596

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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TRIS(4-TERT-BUTYLPHENYL)SULFONIUM

Product Information

Computed Properties

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