| CAS Number | 1092775-62-6 |
| Catalog Number | AG01FOYQ(AGN-PC-3H5OC7) |
| Chemical Name | Bis [2-(2,4-difluorophenyl)-5-trifluoromethylpyridine][2-2'-bipyridyl]iridium hexafluorophosphate |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate |
| InChI | InChI=1S/2C12H5F5N.C10H8N2.F6P.Ir/c2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-2,4-6H;1-8H;;/q2*-1;;-1;+3 |
| InChI Key | ZCNUFCYLERNPGN-UHFFFAOYSA-N |
| MDL Number | MFCD28987331 |
| Molecular Formula | C34H18F16IrN4P |
| Molecular Weight | 1009.6987 |
| SMILES | F[P-](F)(F)(F)(F)F.FC(F)(F)C1=C[N]([Ir+3]([C-]6=C5C(F)=CC(F)=C6)([N]7=C(C8=CC=CC=[N]89)C=CC=C7)93[N]4=C5C=CC(C(F)(F)F)=C4)=C(C2=[C-]3C=C(F)C=C2F)C=C1 |
| Synonyms | 1092775-62-6,
C34H18F16IrN4P,
C36H16F22IrN4P,
(2,2'-Bipyridine)bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-kN][phenyl-kC]iridium(III) hexafluorophosphate, 95%@CRLF1092775-62-6,
(2,2'-Bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate, 99%@CRLF1092775-62-6,
[5,5-Bis(trifluoromethyl)-2,2-bipyridine-|EN,|EN]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-|EN]phenyl]iridium hexafluorophosphate,
1973375-72-2,
[Ir{dFCF3ppy}2(bpy)]PF6,
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| Complexity | 1240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1010.06428g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 23 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1009.7g/mol |
| Monoisotopic Mass | 1010.06428g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number