Bis(4-tert-butylphenyl)iodonium hexafluorophosphate CAS#: 61358-25-6; ChemWhat Code: 927537
Identification
| Product Name | Bis(4-tert-butylphenyl)iodonium hexafluorophosphate |
| IUPAC Name | bis(4-tert-butylphenyl)iodanium;hexafluorophosphate |
| Molecular Structure |  |
| CAS Registry Number | 61358-25-6 |
| EINECS Number | No data available |
| MDL Number | MFCD06797070 |
| Beilstein Registry Number | 5721061 |
| Synonyms | bis(4-tert-butylphenyl)iodonium hexafluorophosphate, 4,4′-Di-tert-butyl-phenyliodoniumhexafluorphosphat, Di-tert-butylphenyliodoniumhexafluorophosphat |
| Molecular Formula | C20H26F6IP |
| Molecular Weight | 538.29 |
| InChI | InChI=1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-7(2,3,4,5)6/h7-14H,1-6H3;/q+1;-1 |
| InChI Key | CJLLNCQWBHTSCB-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP1223196 | Negative image-recording material and cyanine dye | 2002 |
Physical Data
| Appearance | Solid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 173~174 |
| Saturation | Temperature (Solubility (MCS)), °C |
| in solution |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| H2O | 239 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With copper; caesium carbonate In acetonitrile at 80℃; for 24h; Experimental Procedure General procedure: A catalyst (8 mol%), 1-acyl-1H-1,2,3-benzotriazoles (0.2 mmol),Cs2CO3 (0.4 mmol), diaryliodonium salts (0.4 mmol) and acetonitrile(3.0 mL) were sequentially added into a 25mL round-bottom flask, and the mixture was stirred in a preheated oil bath at 80 Cfor 24 h. Then the resulting mixture was cooled to r.t. and the solventwas removed in vacuum. The crude product was purified bycolumn chromatography on silica gel with ethyl acetate/petroleumether (1:10 vol) as an eluent to give the desired 1-aryl-1H-1,2,3-benzotriazoles. | 72% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H314 (64.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (12.82%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (23.08%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (23.08%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (12.82%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.82%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (23.08%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (23.08%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P271, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 8; Packaging Group: III; UN Number: 1759 |
| Under the room temperature and away from light | |
| HS Code | 293190 |
| Storage | Under the room temperature and away from light |
| Shelf Life | No data available |
| Market Price | USD |
| Use Pattern |
| Bis(4-tert-butylphenyl)iodonium hexafluorophosphate CAS#: 61358-25-6 used as a Cationic photoinitiator. |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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