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Molecule

Iodonium, [4-(1-Methylethyl)Phenyl](4-Methylphenyl)-, Tetrakis(2,3,4,5,6-Pentafluorophenyl)Borate(1-) (1:1)

CAS: 178233-72-2 · C40H18BF20I

2D Structure

3D Structure

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Basic Information

CAS Registry Number
178233-72-2
Molecular Formula
C40H18BF20I
Molecular Mass
1016.26 g/mol

Identifiers

CAS Registry Number

178233-72-2

SMILES

Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

InChI Key

MJDBKUFRQPPWGN-UHFFFAOYSA-N

InChI

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

Names and Synonyms

  • Iodonium, [4-(1-Methylethyl)Phenyl](4-Methylphenyl)-, Tetrakis(2,3,4,5,6-Pentafluorophenyl)Borate(1-) (1:1) Synonym
  • UV Cata 211 Synonym
  • Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1) Synonym
  • Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-) Synonym
  • Borate(1-), tetrakis(pentafluorophenyl)-, [4-(1-methylethyl)phenyl](4-methylphenyl)iodonium Synonym
  • (4-Isopropylphenyl)(4-methylphenyl)iodonium tetrakis(pentafluorophenyl)borate Synonym
  • Rhodorsil PI 2074 Synonym
  • Rhodorsil Photoinitiator 2074 Synonym
  • PI 2074 Synonym
  • Silcolease UV Cata 211 Synonym
  • Cata 211 Synonym
  • Rhodorsil 2074 Synonym
  • Photoinitiator 2074 Synonym
  • (4-Methylphenyl)[4-(1-methylethyl)phenyl]iodonium tetrakis(pentafluorophenyl)borate Synonym
  • IMDPI Synonym
  • 4-Isopropyl-4′-methyldiphenyliodonium tetrakis(pentafluorophenyl)borate Synonym
  • RH 2047 Synonym
  • Silcolease CATA 211 Synonym
  • OMBO 037 Synonym
  • Rhodorsil FABA Synonym
  • R 2074 Synonym
  • (4-Isopropylphenyl)(p-tolyl)iodonium tetrakis(perfluorophenyl)borate Synonym
  • p-Cumenyl(p-tolyl)iodonium tetrakis(pentafluorophenyl)borate Synonym
  • Bluesil PI 2074 Synonym
  • Bluesil 2074 Synonym
  • 4-Isopropyl-4′-methyldiphenyliodonium tetrakis(pentafluorophenyl)borate(1-) Synonym
  • Speedcure 939 Synonym
  • I 0591 Synonym
  • TR-PAG 3048 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1016.26 g/mol CAS Common Chemistry
1016.2600000000004 g/mol RDKit
1016.258 g/mol chempirical lib
Canonical SMILES FC=1C(F)=C(F)[C-](=C(F)C1F)[B+3]([C-]=2C(F)=C(F)C(F)=C(F)C2F)([C-]=3C(F)=C(F)C(F)=C(F)C3F)[C-]=4C(F)=C(F)C(F)=C(F)C4F.[I+](C1=CC=C(C=C1)C)C2=CC=C(C=C2)C(C)C CAS Common Chemistry
InChI 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 CAS Common Chemistry
InChI Key InChIKey=MJDBKUFRQPPWGN-UHFFFAOYSA-N CAS Common Chemistry
Name Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1) CAS Common Chemistry
Heavy Atom Count 62 RDKit
Hydrogen Bond Acceptors 0 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 6 RDKit
Topological Polar Surface Area 0.0 Ų RDKit
LogP 7.092820000000004 RDKit
7.0928 RDKit
Molar Refractivity 178.32199999999995 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.1 RDKit
Exact Mass 1016.022693376 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 1016.26 g/mol. Edit any field — others recompute live.

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