Bis(4-tert-Butylphenyl) iodonium hexafluorophosphate - ≥98%(HPLC) , CAS No.61358-25-6

CAS: 61358-25-6 Cat. No.: B131530 Molecular Weight: 538.29 Beilstein Registry Number: 5721061 EC Number: 620-341-4 PubChem CID: 13906852

GRADE & PURITY ≥98%(HPLC)

Synonyms

BIS(4-TERT-BUTYLPHENYL)IODANIUM HEXAFLUOROPHOSPHATE | bis(4-tert-butylphenyl)iodanium;hexafluorophosphate | B2380 | AKOS015833789 | Bis(4-tert-butylphenyl)iodonium hexafluorophosphate, 98% | EC 620-341-4 | bis-(4-t-butylphenyl) iodonium hexafluorophosphat

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Chemical Synthesis, Diaryliodonium salts, Electronic Chemicals, Fluorides, Materials Science,Micro/NanoElectronics, Synthetic Reagents

Specifications

Synonyms

BIS(4-TERT-BUTYLPHENYL)IODANIUM HEXAFLUOROPHOSPHATE | bis(4-tert-butylphenyl)iodanium;hexafluorophosphate | B2380 | AKOS015833789 | Bis(4-tert-butylphenyl)iodonium hexafluorophosphate, 98% | EC 620-341-4 | bis-(4-t-butylphenyl) iodonium hexafluorophosphat

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488198550
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198550
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F
• IUPAC Name: bis(4-tert-butylphenyl)iodanium;hexafluorophosphate
• InChIKey: CJLLNCQWBHTSCB-UHFFFAOYSA-N
• INCHI: 1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-7(2,3,4,5)6/h7-14H,1-6H3;/q+1;-1
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 13906852
• Molecular Weight: 538.29
• Beilstein: 5721061
• Reaxy-Rn: 5721061

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: Aromatic homomonocyclic compounds
• 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

• Solubility: Soluble in Ethanol
• Sensitivity: Light Sensitive；Moisture sensitive
• Melt Point(°C): 175 °C(dec.)
• Molecular Weight: 538.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 538.072 Da
• Monoisotopic Mass: 538.072 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 334.000
• 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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