AG003COK

228120-95-4 | (S)-RuCl[(p-cymene)(T-BINAP)]Cl

AG003COK

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CAS Number	228120-95-4
Catalog Number	AG003COK(AGN-PC-0QZDZT)
Chemical Name	(S)-RuCl[(p-cymene)(T-BINAP)]Cl
IUPAC Name	[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
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;;;;+2/p-2
InChI Key	BHIUOOHVIWKUTN-UHFFFAOYSA-L
MDL Number	MFCD09753014
Molecular Formula	C58H52Cl2P2Ru
Molecular Weight	982.9570
SMILES	[Cl-][Ru+2]123456(P(C7=CC=C(C)C=C7)(C8=CC=C(C)C=C8)C9=C(C%10=C(C=CC=C%10)C=C9)C%11=C(C=CC%12=C%11C=CC=C%12)P6(C%13=CC=C(C)C=C%13)C%14=CC=C(C)C=C%14)C%15(C(C)C)=C1C2=C3(C)C4=C5%15.[Cl-]
Synonyms	(R)-RuCl[(p-cymene)(T-BINAP)]Cl, 131614-43-2, [RUCL(P-CYMENE)((R)-TOLBINAP)]CL, [RUCL(P-CYMENE)((S)-TOLBINAP)]CL, C58H54Cl2P2Ru, MFCD09753014, CHLORO[(R)-(+)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE, (S)-RuCl[(p-cymene)(T-BINAP)]Cl, 228120-95-4, CHLORO[(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE, SC10123, Chloro[(R)-(+)-2,2?-bis(di-p-tolylphosphino)-1, Chloro[(S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride, [RuCl(p-cymene)((S)-tolbinap)]Cl, BHIUOOHVIWKUTN-UHFFFAOYSA-L, 1?-binaphthyl](p-cymene)ruthenium(II) chloride, Chloro[ - -2,2'-bis -1,1'-binaphthyl] ruthenium chloride, 1034001-51-8,

Complexity	986
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	984.212g/mol
Formal Charge	0
Heavy Atom Count	63
Hydrogen Bond Acceptor Count	0
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

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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