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4,4′-Dimethyldiphenyliodonium Hexafluorophosphate
CAS: 60565-88-0 | C14H14F6IP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60565-88-0
Molecular Formula:
C14H14F6IP
Molecular Mass:
454.13 g/mol
Names and Synonyms:
4,4′-Dimethyldiphenyliodonium Hexafluorophosphate
Iodonium, bis(4-methylphenyl)-, hexafluorophosphate(1-) (1:1)
Iodonium, bis(4-methylphenyl)-, hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, bis(4-methylphenyl)iodonium
4,4′-Dimethyldiphenyliodonium hexafluorophosphate
Bis(p-methylphenyl)iodonium hexafluorophosphate
Bis(p-tolyl)iodonium hexafluorophosphate
IHT-PI 820
Omnicat 820
Omnicat 445
R-Gen 1130
Omnicat 440
IHT-PI 445
Omni 440
IHT-PI 440
Bis(4-methylphenyl)iodonium hexafluorophosphate
UV 2257
PAG 30101
Chemcure CAT 3
Deuteron UV 2257
PI 820
Identifiers:
SMILES:
Cc1ccc([I+]c2ccc(C)cc2)cc1.F[P-](F)(F)(F)(F)F
InChI:
InChI=1S/C14H14I.F6P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7(2,3,4,5)6/h3-10H,1-2H3;/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 | 454.13 g/mol | CAS Common Chemistry |
| 454.13199999999995 g/mol | RDKit | |
| 453.978204398 g/mol | RDKit | |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].[I+](C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14I.F6P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7(2,3,4,5)6/h3-10H,1-2H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LHLVGWWCRPPKBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Dimethyldiphenyliodonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8142400000000025 | RDKit |
| Molar Refractivity | 73.32000000000002 | RDKit |
