1-Naphthyl diphenylsulfonium triflate , CAS No.116808-69-6

CAS: 116808-69-6 Cat. No.: N486550 Peso molecular: 462.5 Número EC: 693-720-5

Synonyms

(Naphthalen-1-yl)(diphenyl)sulfanium trifluoromethanesulfonate | OOYZLFZSZZFLJW-UHFFFAOYSA-M | Sulfonium, 1-naphthalenyldiphenyl-, 1,1,1-trifluoromethanesulfonate (1:1) | 1-Naphthyl diphenylsulfonium triflate | naphthalen-1-yl(diphenyl)sulfanium;trifluoro

Storage

Room temperature

Descripción general

Cationic photoinitiator. Photoacid generator.

Specifications

Sinónimos

(Naphthalen-1-yl)(diphenyl)sulfanium trifluoromethanesulfonate | OOYZLFZSZZFLJW-UHFFFAOYSA-M | Sulfonium, 1-naphthalenyldiphenyl-, 1, 1, 1-trifluoromethanesulfonate (1:1) | 1-Naphthyl diphenylsulfonium triflate | naphthalen-1-yl(diphenyl)sulfanium;trifluoro

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: naphthalen-1-yl(diphenyl)sulfanium;trifluoromethanesulfonate
• InChIKey: OOYZLFZSZZFLJW-UHFFFAOYSA-M
• INCHI: 1S/C22H17S.CHF3O3S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;2-1(3,4)8(5,6)7/h1-17H;(H,5,6,7)/q+1;/p-1
• Isómeros SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C(F)(F)(F)S(=O)(=O)[O-]
• Peso molecular: 462.5
• Reaxy-Rn: 5220099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5220099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzene and substituted derivatives Organosulfur compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Naphthalene - Monocyclic benzene moiety - Hydrocarbon derivative - Organic salt - Organosulfur compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 132-133
• Peso molecular: 462.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 462.057 Da
• Monoisotopic Mass: 462.057 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 480.000
• 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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