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212143-23-2

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Basic Information
CAS No.: 212143-23-2
Name: DICHLORO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL][(1R,2R)-(+)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II)
Molecular Structure:
Molecular Structure of 212143-23-2 (DICHLORO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL][(1R,2R)-(+)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II))
Formula: C58H48Cl2N2P2Ru
Molecular Weight: 1006.94
Synonyms: Ruthenium,[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]dichloro[(1R,2R)-1,2-diphenyl-1,2-ethanediamine-kN,kN']-, (OC-6-13)- (9CI);[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-kP]]dichloro[(1R,2R)-1,2-diphenyl-1,2-ethanediamine-kN,kN']ruthenium;
Melting Point: >100°C
Boiling Point: 724.3 °C at 760 mmHg
Flash Point: 419 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 79.22000
LogP: 14.34240
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Specification

The systematic name of Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-(+)-1,2-diphenylethylenediamine]ruthenium(II) is 1,2-ethanediamine, 1,2-diphenyl-, ruthenium(2+) salt, (1R,2R)-, compd. with 1,1'-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine], hydrochloride (1:1:1:2). With the CAS registry number 212143-23-2, it is also named as Ruthenium,[1,1'-(1R)-[1,1'-binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-kP]]dichloro[(1R,2R)-1,2-diphenyl-1,2-ethanediamine-kN1,kN2]-, (OC-6-13)-. In addition, its molecular formula is C58H48Cl2N2P2Ru and its molecular weight is 1006.96. The product should be sealed in a cool and dry place.

The other characteristics of Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(1R,2R)-(+)-1,2-diphenylethylenediamine]ruthenium(II) can be summarized as: (1)ACD/LogP: 13.38; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13; (4)ACD/LogD (pH 7.4): 13; (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: it is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Besides, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Ru+2].[Cl-].[Cl-].c8c1ccccc1c(c5c2ccccc2ccc5P(c3ccccc3)c4ccccc4)c(P(c6ccccc6)c7ccccc7)c8.c1ccccc1[C@@H](N)[C@H](N)c2ccccc2
(2)InChI:InChI=1/C44H32P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1