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di(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate CAS#: 229325-98-8
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Namedi(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonateMolecular StructureCAS Registry Number 229325-98-8SynonymsSCHEMBL453146DB-400726bis(4-tert-butylphenyl)iodanium;2-(trifluoromethyl)benzenesulfonatebis(4-(tert-butyl)phenyl)iodonium 2-(trifluoromethyl)benzenesulfonate229325-98-8Molecular FormulaC27H30F3IO3SMolecular Weight618.5InChIInChI=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-1InChI KeyILYGGWOGJKVSLD-UHFFFAOYSA-M Isomeric SMILESCC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C.C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O) 

Patent InformationPatent IDTitlePublication DateUS2003/194634Novel anthracene derivative and radiation-sensitive resin composition2003

Physical Data

No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH314 (100%): Causes severe skin burns and eye damage Precautionary Statement CodesP260, 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

DruglikenessLipinski rules componentMolecular Weight618.499logP9.137HBA3HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)65.58Rotatable Bond (RotB)6Matching Veber Rules2 https://www.chemwhat.com/di4-t-butylphenyliodonium-2-trifluoromethylbenzenesulfonate-cas-229325-98-8/

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