AG000BPS

116128-29-1 | Ruthenium, bis(acetato-κO,κO')[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)phosphine-κP]]-, (OC-6-22)-

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CAS Number	116128-29-1
Catalog Number	AG000BPS(AGN-PC-0P8LYB)
Chemical Name	Ruthenium, bis(acetato-κO,κO')[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[bis(4-methylphenyl)phosphine-κP]]-, (OC-6-22)-
IUPAC Name	acetic acid;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium
InChI	InChI=1S/C48H40P2.2C2H4O2.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;2*1-2(3)4;/h5-32H,1-4H3;2*1H3,(H,3,4);
InChI Key	OXESSJMVRGFBNX-UHFFFAOYSA-N
MDL Number	MFCD09753021
Molecular Formula	C52H48O4P2Ru
Molecular Weight	899.9526
SMILES	CC1=O[Ru+2]23(P(C4=CC=C(C)C=C4)(C5=CC=C(C)C=C5)C6=C(C7=C(C=CC=C7)C=C6)C8=C(C=CC9=C8C=CC=C9)P2(C%10=CC=C(C)C=C%10)C%11=CC=C(C)C=C%11)([O-]C(C)=O3)[O-]1
Synonyms	(S)-Ru(OAc)2(T-BINAP), (R)-Ru(OAc)2(T-BINAP), 106681-15-6, RU(OAC)2[(R)-TOLBINAP], RU(OAC)2[(S)-TOLBINAP], MFCD09753021, 116128-29-1, DIACETATO[(R)-(+)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II), C52H46O4P2Ru, Ru[(S)-T-BINAP](OCOCH3)2, AKOS015908623, SC10146, I14-34094, I14-34252, DIACETATO[(R)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II), Diacetato[(S)-(?)-2,2?-bis(di-p-tolylphosphino)-1,1?-binaphthyl]ruthenium(II), Diacetato[(R)-(+)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl]ruthenium(II), ?Ru(OAc)2[(R)-tolbinap], Diacetato[(R)-2,2 inverted exclamation marka-bis(di-p-tolylphosphino)-1,1 inverted exclamation marka-binaphthyl]ruthenium(II), Diacetato[(S)-(-)-2,2 inverted exclamation marka-bis(di-p-tolylphosphino)-1,1 inverted exclamation marka-binaphthyl]ruthenium(II), OXESSJMVRGFBNX-UHFFFAOYSA-N, CID11007467, CID 11007467, DIACETATO[(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II),

Complexity	975
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	900.207g/mol
Formal Charge	0
Heavy Atom Count	59
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	899.97g/mol
Monoisotopic Mass	900.207g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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