di(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate CAS#: 229325-98-8; ChemWhat Code: 1490213

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Namedi(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate
Molecular Structuredi(4-t-butyl)phenyliodonium 2-trifluoromethylbenzenesulfonate CAS 229325-98-8
CAS Registry Number 229325-98-8
SynonymsSCHEMBL453146
DB-400726
bis(4-tert-butylphenyl)iodanium;2-(trifluoromethyl)benzenesulfonate
bis(4-(tert-butyl)phenyl)iodonium 2-(trifluoromethyl)benzenesulfonate
229325-98-8
Molecular FormulaC27H30F3IO3S
Molecular Weight618.5
InChIInChI=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 KeyILYGGWOGJKVSLD-UHFFFAOYSA-M 
Isomeric SMILESCC(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 IDTitlePublication Date
US2003/194634Novel 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)corrosion
SignalDanger
GHS Hazard StatementsH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
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

Druglikeness
Lipinski rules component
Molecular Weight618.499
logP9.137
HBA3
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)65.58
Rotatable Bond (RotB)6
Matching Veber Rules2

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