4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate - ≥98% , CAS No.178233-72-2

CAS: 178233-72-2 Cat. No.: I157480 Molecular Weight: 1016.27 EC Number: 422-960-3 PubChem CID: 21967041

GRADE & PURITY ≥98%

Synonyms

DTXSID80889077 | 4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate | SY227009 | BS-44050 | Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-) | (4-methylphenyl)[4-(propan-2-yl)phenyl]iodanium;

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID80889077 | 4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate | SY227009 | BS-44050 | Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-) | (4-methylphenyl)[4-(propan-2-yl)phenyl]iodanium;

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769110
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769110
• Canonical Smiles: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)C
• IUPAC Name: (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• InChIKey: MJDBKUFRQPPWGN-UHFFFAOYSA-N
• INCHI: 1S/C24BF20.C16H18I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h;4-12H,1-3H3/q-1;+1
• Isomeric SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)C
• PubChem CID: 21967041
• Molecular Weight: 1016.27
• Reaxy-Rn: 9250401

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Toluenes Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Organic metalloid salts Organoiodides Organofluorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylpropane - Cumene - Toluene - Iodobenzene - Halobenzene - Fluorobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organoiodide - Organofluoride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene 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 Methanol
• Sensitivity: light sensitive
• Melt Point(°C): 131.0to135.0℃
• Molecular Weight: 1016.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 7
• Exact Mass: 1016.02 Da
• Monoisotopic Mass: 1016.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1020.000
• 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

References

1. Wang Tong, Yang Jiabao, Cao Qi, Pu Xingyu, Li Yuke, Chen Hui, Zhao Junsong, Zhang Yixin, Chen Xingyuan, Li Xuanhua.  (2023)  Room temperature nondestructive encapsulation via self-crosslinked fluorosilicone polymer enables damp heat-stable sustainable perovskite solar cells.  Nature Communications,  14  (1): (1-10).  [PMID:36906625] [10.1038/s41467-023-36918-x]

2. Hao Huang, Zhineng Lan, Yingying Yang, Huilin Yan, Meng Wan, Yi Lu, Shujie Qu, Tongtong Jiang, Changxu Sun, Benyu Liu, Peng Cui, Meicheng Li.  (2025)  Controllable electrolysis doping of organic semiconductors for stable perovskite solar cells.  Joule,      [PMID:] [10.1016/j.joule.2025.102106]

3. Zijun Yi, Long Zhang, Fang Ding, Xuehong Ren.  (2025)  A novel dopant replacing LiTFSI and TBP in Spiro-OMeTAD for high-performance perovskite solar cells.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168527]