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Ruthenium,[(1S)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]dichloro-, (SP-4-2)- (9CI) (134524-84-8)

Identification
Name:Ruthenium,[(1S)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]dichloro-, (SP-4-2)- (9CI)
Synonyms:Ruthenium,[[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine]-P,P']dichloro-,[SP-4-2-(S)]-;Phosphine, [1,1'-binaphthalene]-2,2'-diylbis[diphenyl-,ruthenium complex, (S)-;(S)-BINAP dichlororuthenium complex;[(S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]dichlororuthenium;
CAS:134524-84-8
Molecular Formula: C44H32Cl2P2Ru
Molecular Weight: 794.65
InChI: InChI=1/C44H32P2.2ClH.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;;;/h1-32H;2*1H;/q;;;+2/p-2
Molecular Structure: (C44H32Cl2P2Ru) Ruthenium,[[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine]-P,P']dichloro-,[SP-4-2-(S)]-;Phosphi...
Properties
Specification:

The Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium (II), with CAS registry number 134524-84-8, belongs to the following product categories: (1)Catalysts for Organic Synthesis; (2)Classes of Metal Compounds; (3)Homogeneous Catalysts; (4)Metal Complexes; (5)Ru (Ruthenium) Compounds; (6)Synthetic Organic Chemistry; (7)Transition Metal Compounds. It has the systematic name of ruthenium(2+) dichloride 1,1'-binaphthalene-2,2'-diylbis(diphenylphosphane) (1:1).

Physical properties about this chemical are: (1)ACD/LogP: 13.38; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.38; (4)ACD/LogD (pH 7.4): 13.38; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.18 Å2; (13)Enthalpy of Vaporization: 102.01 kJ/mol; (14)Vapour Pressure: 5.55E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium (II) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ru+2].[Cl-].[Cl-].c8c1ccccc1c(c5c2ccccc2ccc5P(c3ccccc3)c4ccccc4)c(P(c6ccccc6)c7ccccc7)c8
(2)InChI: InChI=1/C44H32P2.2ClH.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;;;/h1-32H;2*1H;/q;;;+2/p-2
(3)InChIKey: YEKBVMDAGDTOQB-NUQVWONBAL
(4)Std. InChI: InChI=1S/C44H32P2.2ClH.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;;;/h1-32H;2*1H;/q;;;+2/p-2
(5)Std. InChIKey: YEKBVMDAGDTOQB-UHFFFAOYSA-L

Safety Data
Hazard Symbols Xi: Irritant
 

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