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Molecule
Diphenyliodonium Hexafluorophosphate
CAS: 58109-40-3 · C12H10F6IP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58109-40-3
- Molecular Formula
- C12H10F6IP
- Molecular Mass
- 426.08 g/mol
Identifiers
CAS Registry Number
58109-40-3
SMILES
F[P-](F)(F)(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChI Key
DSSRLRJACJENEU-UHFFFAOYSA-N
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
Names and Synonyms
- Diphenyliodonium Hexafluorophosphate Common Name
- Iodonium, diphenyl-, hexafluorophosphate(1-) (1:1) Synonym
- Iodonium, diphenyl-, hexafluorophosphate(1-) Synonym
- Phosphate(1-), hexafluoro-, diphenyliodonium Synonym
- Diphenyliodonium hexafluorophosphate Synonym
- DPI HFP Synonym
- ITH-PI 810 Synonym
- DPI PF6 Synonym
- Photoinitiator 810 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.08 g/mol | CAS Common Chemistry |
| 426.0780000000001 g/mol | RDKit | |
| 426.078 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 |
| 3.1974 | RDKit | |
| Molar Refractivity | 63.84600000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 425.94690427 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 426.08 g/mol. Edit any field — others recompute live.
