CAS No.130004-33-0,(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHALENECHLORO(P-CYMENE)RUTHENIUM CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130004-33-0
Name:	(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHALENECHLORO(P-CYMENE)RUTHENIUM CHLORIDE
Article Data:	4

Formula:	C₅₄H₄₆Cl₂P₂Ru
Molecular Weight:	928.883
Synonyms:	Ruthenium(1+),[(1S)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]-,chloride (9CI);Ruthenium(1+),[[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine]-P,P']chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]-,chloride, (S)-;Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex;Phosphine, [1,1'-binaphthalene]-2,2'-diylbis[diphenyl-, ruthenium complex,(S)-;((S)-(2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl))(chloro)(h6-p-isopropyltoluene)ruthenium(1+)chloride;((S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)(chloro)(h6-4-isopropyltoluene)ruthenium(1+)chloride;[(1S)-[1,1'-Binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]ruthenium(1+)chloride;
Melting Point:	>100°C
Boiling Point:	724.3 °C at 760 mmHg
Flash Point:	419 °C
Appearance:	Brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	27.18000
LogP:	13.67380

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Specification

The Ruthenium(1+),[1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-kP]]chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]-,chloride (1:1), with CAS registry number 130004-33-0, has the systematic name of dichlororuthenium; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; 1-isopropyl-4-methyl-benzene. This chemical is a kind of brown crystalline powder. And it should be stored at the temperature of -20°C.

Physical properties of Ruthenium(1+),[1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-kP]]chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]-,chloride (1:1): (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)Flash Point: 419 °C; (14)Enthalpy of Vaporization: 102.01 kJ/mol; (15)Boiling Point: 724.3 °C at 760 mmHg; (16)Vapour Pressure: 5.55E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ruthenium(1+),[1,1'-(1S)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-kP]]chloro[(1,2,3,4,5,6-h)-1-methyl-4-(1-methylethyl)benzene]-,chloride (1:1) irritates to eyes, respiratory system and skin. 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: Cl[Ru]Cl.c8c1ccccc1c(c5c2ccccc2ccc5P(c3ccccc3)c4ccccc4)c(P(c6ccccc6)c7ccccc7)c8.c1cc(ccc1C(C)C)C
(2)InChI: InChI=1/C44H32P2.C10H14.2ClH.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;1-8(2)10-6-4-9(3)5-7-10;;;/h1-32H;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
(3)InChIKey: WNHLGYRPKARUHY-NUQVWONBAC
(4)Std. InChI: InChI=1S/C44H32P2.C10H14.2ClH.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;1-8(2)10-6-4-9(3)5-7-10;;;/h1-32H;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: WNHLGYRPKARUHY-UHFFFAOYSA-L