(4-Isobutylphenyl)(4-methylphenyl)iodonium Hexafluorophosphate (ca. 70% in Propylene Carbonate) - ≥70% , CAS No.344562-80-7

CAS: 344562-80-7 Cat. No.: M303495 Peso molecular: 496.21 Número EC: 435-690-6 PubChem CID: 22019765

GRADE & PURITY ≥70%

Synonyms

344562-80-7|Iodonium, (4-methylphenyl)[4-(2-methylpropyl)phenyl]-, hexafluorophosphate(1-)|(4-Isobutylphenyl)(p-tolyl)iodonium hexafluorophosphate(V)|(4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphate|4-Isobutylphenyl-4'-methylphenyli

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

344562-80-7 | Iodonium, (4-methylphenyl)[4-(2-methylpropyl)phenyl]-, hexafluorophosphate(1-) | (4-Isobutylphenyl)(p-tolyl)iodonium hexafluorophosphate(V) | (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphate | 4-Isobutylphenyl-4'-methylphenyli

Especificaciones y pureza

≥70%

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

≥70%

Nombres e identificadores

• Pubchem Sid: 504769123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769123
• Sonrisas canónicas: CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.F[P-](F)(F)(F)(F)F
• IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium;hexafluorophosphate
• InChIKey: YNDYCGZWQZEBCS-UHFFFAOYSA-N
• INCHI: 1S/C17H20I.F6P/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-7(2,3,4,5)6/h4-11,13H,12H2,1-3H3;/q+1;-1
• Isómeros SMILES: CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.F[P-](F)(F)(F)(F)F
• PubChem CID: 22019765
• Peso molecular: 496.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Toluenes Iodobenzenes Aryl iodides Organoiodides Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Toluene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organic salt - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 496.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 496.025 Da
• Monoisotopic Mass: 496.025 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 283.000
• 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