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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
Names and Synonyms:
Iodonium, [4-(1-Methylethyl)Phenyl](4-Methylphenyl)-, Tetrakis(2,3,4,5,6-Pentafluorophenyl)Borate(1-) (1:1)
UV Cata 211
Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1)
Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-)
Borate(1-), tetrakis(pentafluorophenyl)-, [4-(1-methylethyl)phenyl](4-methylphenyl)iodonium
(4-Isopropylphenyl)(4-methylphenyl)iodonium tetrakis(pentafluorophenyl)borate
Rhodorsil PI 2074
Rhodorsil Photoinitiator 2074
PI 2074
Silcolease UV Cata 211
Cata 211
Rhodorsil 2074
Photoinitiator 2074
(4-Methylphenyl)[4-(1-methylethyl)phenyl]iodonium tetrakis(pentafluorophenyl)borate
IMDPI
4-Isopropyl-4′-methyldiphenyliodonium tetrakis(pentafluorophenyl)borate
RH 2047
Silcolease CATA 211
OMBO 037
Rhodorsil FABA
R 2074
(4-Isopropylphenyl)(p-tolyl)iodonium tetrakis(perfluorophenyl)borate
p-Cumenyl(p-tolyl)iodonium tetrakis(pentafluorophenyl)borate
Bluesil PI 2074
Bluesil 2074
4-Isopropyl-4′-methyldiphenyliodonium tetrakis(pentafluorophenyl)borate(1-)
Speedcure 939
I 0591
TR-PAG 3048
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1016.26 g/mol | CAS Common Chemistry |
| 1016.2600000000004 g/mol | RDKit | |
| 1016.022693376 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 178.32199999999995 | RDKit |
