Bis(4-tert-butylphenyl)iodonium Trifluoromethanesulfonate - ≥98% , CAS No.84563-54-2

CAS: 84563-54-2 Cat. No.: B152266 Peso molecular: 542.4 Número EC: 640-405-5 PubChem CID: 2734848

GRADE & PURITY ≥98%

Synonyms

Bis[4-(tert-butyl)phenyl]iodonium Trifluoromethanesulfonate | DtBPIT | AKOS015853002 | AS-10495 | SCHEMBL36627 | B2381 | C21H26F3IO3S | D81809 | DTXSID80370536 | bis(p-tert-butylphenyl)iodonium trifluoromethanesulfonate | Bis(4-tert-butylphenyl)iodonium t

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Bis[4-(tert-butyl)phenyl]iodonium Trifluoromethanesulfonate | DtBPIT | AKOS015853002 | AS-10495 | SCHEMBL36627 | B2381 | C21H26F3IO3S | D81809 | DTXSID80370536 | bis(p-tert-butylphenyl)iodonium trifluoromethanesulfonate | Bis(4-tert-butylphenyl)iodonium t

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192676
• Sonrisas canónicas: 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: 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
• Isómeros 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
• Peso molecular: 542.4

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: 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
• 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

• Solubilidad: ethyl lactate: ~25%；γ-butyrolactone: ~50%；PGMEA: ~50%
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 162-166 °C
• Peso molecular: 542.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 542.06 Da
• Monoisotopic Mass: 542.06 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 416.000
• 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