2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate - ≥98% , CAS No.1961266-44-3

CAS: 1961266-44-3 Cat. No.: D302677 Peso molecular: 438.31 Número EC: 834-690-7 PubChem CID: 132274857

GRADE & PURITY ≥98%

Synonyms

Umemoto's Reagent II | 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate | AS-74273 | Umemoto Reagent II | C14H6F8O3S2 | SY234680 | 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Triflate | D5335 | 4,12-difluo

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

Umemoto's Reagent II | 2, 8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate | AS-74273 | Umemoto Reagent II | C14H6F8O3S2 | SY234680 | 2, 8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b, d]thiophen-5-ium Triflate | D5335 | 4, 12-difluo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488202769
• Sonrisas canónicas: C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
• InChIKey: WLVWCXRDONBKDB-UHFFFAOYSA-M
• INCHI: 1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
• Isómeros SMILES: C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
• PubChem CID: 132274857
• Peso molecular: 438.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Benzenoids Aryl fluorides Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organoheterocyclic compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Trifluoromethanesulfonate - Benzenoid - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid - Methanesulfonate - Trihalomethane - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 438.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 437.963 Da
• Monoisotopic Mass: 437.963 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 463.000
• 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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