| CAS Number | 870987-63-6 |
| Catalog Number | AG019DRO(AGN-PC-0VAO4Z) |
| Chemical Name | [4,4'-bis(tert-butyl)-2,2'-bipyridine-κN¹,κN¹']bis[3,5-difluoro-2-(5-trifluoromethyl-2-pyridinyl-κN)phenyl-κC]iridium(III) hexafluorophosphate |
| IUPAC Name | 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;ruthenium(3+);hexafluorophosphate |
| InChI | InChI=1S/C18H24N2.2C12H5F5N.F6P.Ru/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 | ZUCAVAHGAUORTF-UHFFFAOYSA-N |
| MDL Number | MFCD27952556 |
| Molecular Formula | C42H34F16IrN4P |
| Molecular Weight | 1121.9114 |
| SMILES | FC1=CC(F)=C2C3=CC=C(C=[N]3[Ir+3]45([C-]2=C1)([C-]6=CC(F)=CC(F)=C6C7=CC=C(C=[N]74)C(F)(F)F)[N]8=CC=C(C=C8C=9C=C(C=C[N]95)C(C)(C)C)C(C)(C)C)C(F)(F)F.[F-][P+5]([F-])([F-])([F-])([F-])[F-] |
| Synonyms | 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;ruthenium(3+);hexafluorophosphate,
870987-63-6,
|
| Complexity | 760 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1031.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 64 |
| Hydrogen Bond Acceptor Count | 23 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1030.78g/mol |
| Monoisotopic Mass | 1031.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number