(Ir[dF(CF3)ppy]2(dtbpy))PF6
CAS #: 870987-63-6
Product Code : E-N-A23-CU-CU
CAS #: 870987-63-6
Linear Formula: [Ir(C18H24N2)(C12H5F5N)2]+PF6-
MDL Number: MFCD27952556
EC No.: 811-445-2
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Synonyms
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate, Bis[2-(2,4-difluorophenyl)-5-trifluorophenylpyridyl](4,4'-di-tert-butyl-2,2'-dipyridyl)iridium(III) hexafluorophosphate
Compound Formula: C42H34F16IrN4P
Molecular Weight: 1121.91
Appearance: Yellow crystalline solid or powder
Melting Point: >300 °C
Boiling Point: N/A
Density: N/A
Solubility in H2O: N/A
Exact Mass: 1122.189 g/mol
Monoisotopic Mass: 1122.189 g/mol
Health & Safety Information
Signal Word: N/A
Hazard Statements: N/A
Hazard Codes: N/A
Risk Codes: N/A
Safety Statements: N/A
Transport Information: NONH for all modes of transport
WGK Germany: 3
Chemical Identifiers
Linear Formula: [Ir(C18H24N2)(C12H5F5N)2]+PF6-
Pubchem CID: 60160592
MDL Number: MFCD27952556
EC No.: 811-445-2
IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium(3+); hexafluorophosphate
SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
InchI Identifier: InChI=1S/C18H24N2.2C12H5F5N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-2,4-6H;;/q;3*-1;+3
InchI Key: XFAXYKCDJPDUTA-UHFFFAOYSA-N