Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-cyclohexane-1,2-diamine]ruthenium(II) tetrakis(pentafluorophenyl)borate, min. 97%

Catalog Number

ACM1150112552

Product Name

Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-cyclohexane-1,2-diamine]ruthenium(II) tetrakis(pentafluorophenyl)borate, min. 97%

CAS

1150112-55-2

Category

Heterocyclic Organic Compound

Synonyms

MFCD17018816;1150112-55-2;Chloro[(R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-cyclohexane-1,2-diamine]ruthenium(II) tetrakis(pentafluorophenyl)borate;

IUPAC Name

(1R,2R)-cyclohexane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride;

Molecular Weight

1552.442g/mol

Molecular Formula

C74H46BClF20N2P2Ru;

Canonical SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C1CCC(C(C1)N)N.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.[Cl-].[Ru+2];

InChI

InChI=1S/C44H32P2.C24BF20.C6H14N2.ClH.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;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-5-3-1-2-4-6(5)8;;/h1-32H;;5-6H,1-4,7-8H2;1H;/q;-1;;;+2/p-1/t;;5-,6-;;/m..1../s1;

InChI Key

MXBKXVJHGVMDSK-GSEQGPDBSA-M;

Complexity

1670

Covalently-Bonded Unit Count

5

Defined Atom Stereocenter Count

2

Exact Mass

1552.164g/mol

H-Bond Acceptor

24

H-Bond Donor

2

Heavy Atom Count

101

Monoisotopic Mass

1552.164g/mol

Rotatable Bond Count

11

Topological Polar Surface Area

52A^2

MSDS

COA

Spec Sheet