di(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate CAS#: 229325-98-8; 凯望编码 (ChemWhat Code): 1490213
Identification
| 英文名 | di(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate |
| 分子结构 |  |
| CAS编号 | 229325-98-8 |
| 别名 | SCHEMBL453146 DB-400726 bis(4-tert-butylphenyl)iodanium;2-(trifluoromethyl)benzenesulfonate bis(4-(tert-butyl)phenyl)iodonium 2-(trifluoromethyl)benzenesulfonate 229325-98-8 |
| 分子式 | C27H30F3IO3S |
| 分子量 | 618.5 |
| InChI | InChI=1S/C20H26I.C7H5F3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h7-14H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1 |
| InChI Key | ILYGGWOGJKVSLD-UHFFFAOYSA-M |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-] |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2003/194634 | Novel anthracene derivative and radiation-sensitive resin composition | 2003 |
Physical Data
No data available
Spectra
No data available
Route of Synthesis (ROS)
No data available
Safety and Hazards
| Pictogram(s) |  |
| Signal | Danger |
| GHS Hazard Statements | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
| Precautionary Statement Codes | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 618.499 |
| logP | 9.137 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 65.58 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
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