| CAS Number | 1034001-51-8 |
| Catalog Number | AG00945N(AGN-PC-0WQUOX) |
| Chemical Name | Chloro[(R)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride |
| IUPAC Name | [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride |
| InChI | InChI=1S/C48H40P2.C10H14.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-8(2)10-6-4-9(3)5-7-10;;;/h5-32H,1-4H3;4-8H,1-3H3;2*1H;/q;;;;+3/p-2 |
| InChI Key | ZKAJUZRGXDGAJV-UHFFFAOYSA-L |
| MDL Number | MFCD09753014 |
| Molecular Formula | C58H54Cl2P2Ru |
| Molecular Weight | 984.9729 |
| SMILES | Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.[Cl-].[Cl-].[Ru+3] |
| Synonyms | C58H54Cl2P2Ru,
1034001-51-8,
(R)-RuCl[(p-cymene)(T-BINAP)]Cl,
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane,
R0148,
[RUCL(P-CYMENE)((R)-TOLBINAP)]CL,
CHLORO[(R)-(+)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE,
|
| Complexity | 983 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 984.212g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 984.988g/mol |
| Monoisotopic Mass | 984.212g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number