AG003LLE

178233-72-2 | 4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate

AG003LLE

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CAS Number	178233-72-2
Catalog Number	AG003LLE(AGN-PC-0QBAN1)
Chemical Name	4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate
EC Number	422-960-3
IUPAC Name	(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
InChI	InChI=1S/C24BF20.C16H18I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h;4-12H,1-3H3/q-1;+1
InChI Key	MJDBKUFRQPPWGN-UHFFFAOYSA-N
MDL Number	MFCD03411231
Molecular Formula	C40H18BF20I
Molecular Weight	1016.2545
SMILES	CC1=CC=C([I+]C2=CC=C(C(C)C)C=C2)C=C1.FC3=C(F)C(F)=C(F)C(F)=C3[B-](C4=C(F)C(F)=C(F)C(F)=C4F)(C5=C(F)C(F)=C(F)C(F)=C5F)C6=C(F)C(F)=C(F)C(F)=C6F
Synonyms	178233-72-2, (4-Isopropylphenyl)(p-tolyl)iodonium tetrakis(perfluorophenyl)borate, 4-Isopropyl-4'-methyldiphenyliodonium Tetrakis(pentafluorophenyl)borate, (4-(1-methylethyl)phenyl)-(4-methylphenyl)iodonium tetrakis(pentafluorophenyl)borate (1-), p-Cumenyl(p-tolyl)iodonium Tetrakis(pentafluorophenyl)borate, (p-Isopropylphenyl)(p-methylphenyl)-iodonium tetrakis(pentafluorophenyl) borate, Iodonium, (4-(1-methylethyl)phenyl)(4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-), Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-), Iodonium, (4-(1-methylethyl)phenyl)(4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1), Iodonium, [4-(1-methylethyl)phenyl](4-methylphenyl)-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1), EC 422-960-3, SCHEMBL133838, C40H18BF20I, CTK8B3627, KS-000015DO, 9346AA, ANW-42840, MFCD03411231, AKOS016009277, RTR-008167, AK109750, AN-30672, TR-008167, I0591, ST24034718, (4-(1-methylethyl)phenyl)-(4-methylphenyl), J-011360, I14-93557, (4-Isopropylphenyl)(p-tolyl)iodoniumtetrakis(perfluorophenyl)borate, 4-isopropyl-4'-methyldiphenyliodoniumtetrakis(pentafluorophenyl)borate, 4-Isopropyl-4\\'-methyldiphenyliodonium tetrakis(pentafluorophenyl)borate, (4-isopropylphenyl)-(p-tolyl)iodonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide, (p-Isopropylphenyl)(p-methylphenyl)-iodonium tetrakis(pentafluorophenyl)borate, 4-methylphenyl-[4-(1-methylethyl)phenyl] iodonium tetrakis(penta-fluorophenyl)borate, (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium,tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide, 1878128-77-8, MJDBKUFRQPPWGN-UHFFFAOYSA-N, C24BF20.C16H18I, C24-B-F20.C16-H18-I, Iodonium, (4-(1-methylethyl)phenyl)(4-methylphenyl)-, tetrakis(pentafluorophenyl)borate(1-) (1:1),

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1016.023g/mol
Formal Charge	0
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	21
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1016.267g/mol
Monoisotopic Mass	1016.023g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302+H312-H410
Packing Group	Ⅲ
Precautionary statements	P264-P270-P273-P280-P301+P312+P330-P302+P352+P312+P362+P364-P391-P501
UN Code	UN 3077

Certificate of Analysis

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