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Diphenyliodonium Hexafluorophosphate
CAS: 58109-40-3 | C12H10F6IP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58109-40-3
Molecular Formula:
C12H10F6IP
Molecular Mass:
426.08 g/mol
Names and Synonyms:
Diphenyliodonium Hexafluorophosphate
Iodonium, diphenyl-, hexafluorophosphate(1-) (1:1)
Iodonium, diphenyl-, hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, diphenyliodonium
Diphenyliodonium hexafluorophosphate
DPI HFP
ITH-PI 810
DPI PF6
Photoinitiator 810
Identifiers:
SMILES:
F[P-](F)(F)(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChI:
InChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/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 | 426.08 g/mol | CAS Common Chemistry |
| 426.0780000000001 g/mol | RDKit | |
| 425.94690427 g/mol | RDKit | |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].[I+](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DSSRLRJACJENEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyliodonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 3.197400000000001 | RDKit |
| Molar Refractivity | 63.84600000000003 | RDKit |
