(4-Fluorophenyl)diphenylsulfonium triflate - ≥98% , CAS No.154093-57-9

CAS: 154093-57-9 Cat. No.: F167522 Molecular Weight: 430.44 EC Number: 622-843-9 PubChem CID: 16213837

GRADE & PURITY ≥98%

Synonyms

(4-Fluorophenyl)diphenylsulfonium triflate|154093-57-9|(4-fluorophenyl)-diphenylsulfanium;trifluoromethanesulfonate|(4-fluorophenyl)diphenylsulfonium trifluoromethanesulfonate|4-Fluorophenyl diphenylsulfonium trifluoromethanesulfonate|SCHEMBL51183|DTXSID6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(4-Fluorophenyl)diphenylsulfonium triflate | 154093-57-9 | (4-fluorophenyl)-diphenylsulfanium;trifluoromethanesulfonate | (4-fluorophenyl)diphenylsulfonium trifluoromethanesulfonate | 4-Fluorophenyl diphenylsulfonium trifluoromethanesulfonate | SCHEMBL51183 | DTXSID6

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199204
• Canonical Smiles: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: (4-fluorophenyl)-diphenylsulfanium;trifluoromethanesulfonate
• InChIKey: SGYQZOQILXLBIB-UHFFFAOYSA-M
• INCHI: 1S/C18H14FS.CHF3O3S/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2-1(3,4)8(5,6)7/h1-14H;(H,5,6,7)/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
• PubChem CID: 16213837
• Molecular Weight: 430.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organosulfur compounds Organofluorides Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Melt Point(°C): 117-120 °C
• Molecular Weight: 430.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 430.032 Da
• Monoisotopic Mass: 430.032 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 400.000
• 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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