Bis (4-tert-butylphenyl) iodonium salt: trifluoromethanesulfonate(1:1) - ≥99%,Single Metal≤20ppb;Total Metal≤100ppb , CAS No.84563-54-2

CAS: 84563-54-2 Cat. No.: B1520224 Molecular Weight: 542.4 EC Number: 640-405-5 PubChem CID: 2734848

GRADE & PURITY ≥99%, Single Metal≤20ppb;Total Metal≤100ppb

Storage

Room temperature

Specifications

Specifications & Purity

≥99%, Single Metal≤20ppb;Total Metal≤100ppb

Storage

Room temperature

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• IUPAC Name: bis(4-tert-butylphenyl)iodanium;trifluoromethanesulfonate
• InChIKey: VGZKCAUAQHHGDK-UHFFFAOYSA-M
• INCHI: InChI=1S/C20H26I.CHF3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• PubChem CID: 2734848
• Molecular Weight: 542.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Iodobenzenes Aryl iodides Organoiodides Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylpropane - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organic salt - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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): 162-166 °C