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Tris[4-(tert-butyl)phenyl]sulfonium Nonafluorobutane-1-sulfonate

Tris[4-(tert-butyl)phenyl]sulfonium Nonafluorobutane-1-sulfonate

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Molecular Formula:

C34H39F9O3S2

Molecular Weight:

730.79

CAS Number:

241806-75-7

Catalog Number:

241806-75-7

Product Information

Molecular Formula:

C34H39F9O3S2

Molecular Weight:

730.79

Description

Cationic photoinitiator. Photoacid generator.

Synonyms

tris(4-tert-butylphenyl)sulfonium; tris(4-tert-butylphenyl)sulfanium

IUPAC Name

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(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

InChI

InChI=1S/C30H39S/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/h10-21H,1-9H3/q+1

InChI Key

ZMOJTPABCOWEOS-UHFFFAOYSA-N

Boiling Point

>220 °C

Melting Point

194-197 °C (lit.)

Flash Point

235.4 °F

Purity

≥ 99 %

Application

Cationic photoinitiator.

Refractive Index

n20/D 1.5 (lit.)

LogP

8.67450

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

730.21969091 g/mol

Monoisotopic Mass

730.21969091 g/mol

Topological Polar Surface Area

66.6Å²

Heavy Atom Count

Formal Charge

Complexity

826

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-butyl)phenyl]sulfonium Nonafluorobutane-1-sulfonate

Product Information

Computed Properties

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