(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE

Product Information

Molecular Formula:
C25H25F3O6S2
Molecular Weight:
542.59
Description
Cationic photoinitiator. Photoacid generator.
Synonyms
TERT-BUTYL (4-(DIPHENYL)SULFONIUM)PHENOXYACETATE TRIFLATE; (TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE; (TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLUOROMETHANESULFONATE; T-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY] ACETATE, TRIFLA
IUPAC Name
[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfaniumtrifluoromethanesulfonate
Canonical SMILES
[O-]S(=O)(=O)C(F)(F)F.CC(C)(C)OC(=O)COc1ccc(cc1)[S+](c2ccccc2)c3ccccc3
InChI
InChI=1S/C24H25O3S.CHF3O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-212-1(3,4)8(5,6)7/h4-17H,18H2,1-3H3(H,5,6,7)/q+1/p-1
InChI Key
KMJCYKNSIKZQFX-UHFFFAOYSA-M
Melting Point
104-108 °C (lit.)
Purity
≥99% trace metals basis
Application
Cationic photoinitiator.

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
8
Exact Mass
542.10446535 g/mol
Monoisotopic Mass
542.10446535 g/mol
Topological Polar Surface Area
102Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
593
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

Patents

Publication Number Title Priority Date
KR-101335388-B1 Novel sulfonic acid salts, acid generators and resist compositions containing acid generators using the same 2012-10-26
AU-2012316333-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
AU-2012316335-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
CA-2849981-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
CA-2850489-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
EP-2761341-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
EP-2761341-B1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
EP-2761363-A1 Method of creating a visible mark on lens using a leuco dye 2011-09-30
JP-2014528595-A How to make visible marks on lenses using leuco dyes 2011-09-30
JP-2014535067-A How to make visible marks on lenses using leuco dyes 2011-09-30
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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