Triphenylsulfonium triflate(TPST) - ≥99% , CAS No.66003-78-9

CAS: 66003-78-9 Cat. No.: T299283 Molecular Weight: 412.45 EC Number: 432-340-4 PubChem CID: 11729320

GRADE & PURITY ≥99%

Synonyms

E78305 | trifluoromethanesulfonate; triphenylsulfonium | trifluoromethanesulfonate;triphenylsulfanium | TRIPHENYLSULFONIUMTRIFLUOROMETHANESULFONATE | T2180 | A835302 | Q7843283 | triphenylsulfanium; tris(fluoranyl)methanesulfonate | Triphenylsulphonium tr

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Triphenylsulfonium triflate (TPS-tf) is a photo-acid generator which can be incorporated in conjugated polymers to enhance the luminescence and reduce the operating voltage. The performance efficiency of the fabricated device is increased by improving the mobility of charge carriers.

TPS-tfs can be used as photoacid generators for the preparation of a bilayer system based nanoporous template which can be potentially used in sensor applications.It can also be used to form a blend with polyfluorene-co-benzothiadiazole for the fabrication of organic light emitting diodes (OLEDs).

Specifications

Synonyms

E78305 | trifluoromethanesulfonate; triphenylsulfonium | trifluoromethanesulfonate;triphenylsulfanium | TRIPHENYLSULFONIUMTRIFLUOROMETHANESULFONATE | T2180 | A835302 | Q7843283 | triphenylsulfanium; tris(fluoranyl)methanesulfonate | Triphenylsulphonium tr

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488197685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197685
• Canonical Smiles: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: trifluoromethanesulfonate;triphenylsulfanium
• InChIKey: FAYMLNNRGCYLSR-UHFFFAOYSA-M
• INCHI: 1S/C18H15S.CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 11729320
• Molecular Weight: 412.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Benzene and substituted derivatives Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Monocyclic benzene moiety - Benzenoid - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic oxide - Alkyl halide - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
• 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

• Sensitivity: Hygroscopic；Light sensitive
• Melt Point(°C): 133-137 °C
• Molecular Weight: 412.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 412.041 Da
• Monoisotopic Mass: 412.041 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 346.000
• 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

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