Tris(4-tert-butylphenyl)sulfonium triflate - electronic grade, ≥99% metals basis , CAS No.134708-14-8

CAS: 134708-14-8 Cat. No.: T476344 Molecular Weight: 580.76

GRADE & PURITY Electronic grade, ≥99% metals basis

Synonyms

Tris(4-(tert-butyl)phenyl)sulfonium trifluoromethanesulfonate | Tris(4-tert-butylphenyl)sulfonium triflate | Tris(4-tert-butylphenyl)sulfanium trifluoromethanesulfonate | Sulfonium, tris[(1,1-dimethylethyl)phenyl]-, 1,1,1-trifluoromethanesulfonate | tris(

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Description

Cationic photoinitiator. Photoacid generator.

Specifications

Synonyms

Tris(4-(tert-butyl)phenyl)sulfonium trifluoromethanesulfonate | Tris(4-tert-butylphenyl)sulfonium triflate | Tris(4-tert-butylphenyl)sulfanium trifluoromethanesulfonate | Sulfonium, tris[(1, 1-dimethylethyl)phenyl]-, 1, 1, 1-trifluoromethanesulfonate | tris(

Specifications & Purity

electronic grade, ≥99% metals basis

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Electronic grade

Purity

≥99% metals basis

Names and Identifiers

• 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-]
• IUPAC Name: trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium
• InChIKey: HHMQUQRJNPTPAJ-UHFFFAOYSA-M
• 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
• Isomeric 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-]
• Alternate CAS: 220155-94-2
• Molecular Weight: 580.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Organosulfur compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylpropane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: PGMEA: <1%γ-butyrolactone: ~25%ethyl lactate: ~5%
• Sensitivity: Moisture sensitive；Light sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 250-253℃ (lit.)
• Molecular Weight: 580.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 580.229 Da
• Monoisotopic Mass: 580.229 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3