| CAS Number | 261948-85-0 |
| Catalog Number | AG002S5I(AGN-PC-0R24TC) |
| Chemical Name | Ruthenium, bis(acetato-κO,κO')[1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-κP]]-, (OC-6-22)- |
| IUPAC Name | acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium |
| InChI | InChI=1S/C44H32P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-32H;2*1H3,(H,3,4); |
| InChI Key | XANQJWCSQJDBEA-UHFFFAOYSA-N |
| MDL Number | MFCD09753020 |
| Molecular Formula | C48H38O4P2Ru |
| Molecular Weight | 841.8304 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.CC(=O)[O-].CC(=O)[O-].[Ru+2] |
| Synonyms | 261948-85-0,
(S)-Ru(OAc)2(BINAP),
C48H38O4P2Ru,
MFCD09753020,
325146-81-4,
Ru[(S)-BINAP](OCOCH3)2,
Diacetato[(S)-(?)-2,2?-bis(diphenylphosphino)-1,1?-binaphthyl]ruthenium(II),
acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium,
Diacetato[(S)-(-)-2,2NULL-bis(diphenylphosphino)-1,1NULL-binaphthyl]ruthenium(II),
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| Complexity | 828 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 844.144524g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 55 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 843.8g/mol |
| Monoisotopic Mass | 844.144524g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 74.6Ų |
| 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