[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate - ≥98% , CAS No.1232133-62-8

CAS: 1232133-62-8 Cat. No.: T405037 Peso molecular: 540.26 Número EC: 802-725-5 PubChem CID: 117064601

GRADE & PURITY ≥98%

Synonyms

Mesityl[4-(trifluoromethyl)phenyl]iodonium Triflate | 1232133-62-8 | [4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodoniumTrifluoromethanesulfonate | trifluoromethanesulfonate;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium | [4-(Trifluor

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

Mesityl[4-(trifluoromethyl)phenyl]iodonium Triflate | 1232133-62-8 | [4-(Trifluoromethyl)phenyl](2, 4, 6-trimethylphenyl)iodoniumTrifluoromethanesulfonate | trifluoromethanesulfonate;[4-(trifluoromethyl)phenyl]-(2, 4, 6-trimethylphenyl)iodanium | [4-(Trifluor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

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

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

• Sonrisas canónicas: CC1=CC(=C(C(=C1)C)[I+]C2=CC=C(C=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: trifluoromethanesulfonate;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
• InChIKey: XTTMIKRDUJQRGJ-UHFFFAOYSA-M
• INCHI: 1S/C16H15F3I.CHF3O3S/c1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)19;2-1(3,4)8(5,6)7/h4-9H,1-3H3;(H,5,6,7)/q+1;/p-1
• Isómeros SMILES: CC1=CC(=C(C(=C1)C)[I+]C2=CC=C(C=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
• PubChem CID: 117064601
• Peso molecular: 540.26
• Reaxy-Rn: 20424731

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Trifluoromethanesulfonates Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organoiodides Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Trifluoromethylbenzene - Trifluoromethanesulfonate - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organoiodide - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light Sensitive；Moisture sensitive
• Punto de fusión (°C): 203 °C
• Peso molecular: 540.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 539.969 Da
• Monoisotopic Mass: 539.969 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 440.000
• 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

Referencias

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