(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE CAS#: 180801-55-2; ChemWhat Code: 1020384
Identification
| Product Name | (TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE |
| IUPAC Name | [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonate |
| Molecular Structure |  |
| CAS Registry Number | 180801-55-2 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | diphenyl(4-t-butoxycarbonylmethoxyphenyl)sulfonium trifluoromethanesulfonatediphenyl-(4-t-butoxycarbonylmethoxyphenyl)sulfonium trifluoromethanesulfonate salt |
| Molecular Formula | C25H25F3O6S2 |
| Molecular Weight | 542.583 |
| InChI | InChI=1S/C24H25O3S.CHF3O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;2-1(3,4)8(5,6)7/h4-17H,18H2,1-3H3;(H,5,6,7)/q+1;/p-1 |
| InChI Key | KMJCYKNSIKZQFX-UHFFFAOYSA-M |
| Canonical SMILES | CC(C)(C)OC(=O)COc1ccc(S+c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)F |
| Patent Information |
| No data available |
Physical Data
| Appearance | White to off-white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| No data available |
Route of Synthesis (ROS)
| Conditions | Yield |
| In dichloromethane; water for 3h; | 94.6% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 542.597 |
| logP | 7.026 |
| HBA | 5 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 101.11 |
| Rotatable Bond (RotB) | 9 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Photoacid Generator (PAG) |
| The primary application of CAS 180801-55-2 is as a photoacid generator (PAG). Upon exposure to UV or other high-energy radiation, it generates a strong acid that initiates chemical transformations in radiation-sensitive materials. |
| Semiconductor Photoresists |
| It is used in chemically amplified photoresist formulations for: Semiconductor lithography Integrated circuit (IC) manufacturing Microelectronic patterning Advanced microfabrication processes Sulfonium triflate salts are important PAG components in high-resolution lithographic systems. |
| Cationic Photoinitiator |
| The compound functions as a cationic photoinitiator in UV-curable systems, including: UV-curable coatings UV-curable inks UV-curable adhesives Epoxy resin curing formulations The acid generated upon irradiation initiates cationic polymerization reactions. |
| Electronic Materials Research |
| Used in the development of: Advanced photoresists Electronic materials Microelectronics fabrication technologies Radiation-sensitive polymer systems |
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