(1S,2S)-1,2-diphenylethane-1,2-diamine; dichlororuthenium; {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane

• ChemBase ID: 141182
• Molecular Formular: C58H48Cl2N2P2Ru
• Molecular Mass: 1006.938642
• Monoisotopic Mass: 1006.17132717
• SMILES: c1ccc(cc1)[C@@H]([C@H](c1ccccc1)N)N.c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.N[C@H]([C@H](c1ccccc1)N)c1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/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.0.../s1
• InChIKey: PZTVCDSGEXHVBL-LISIALKWSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-1,2-diphenylethane-1,2-diamine; dichlororuthenium; {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane
• IUPAC Traditional name: binap; dichlororuthenium; diphenylethylenediamine
• Synonyms: Dichloro[(S)-(-)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl][(1S,2S)-(-)-1,2-diphenylethylenediamine] ruthenium(II); Dichloro[(R)-(+)-2,2′-bis(diphenylphosphino)1,1′-binaphthyl][(1S,2S)-(-)-1,2-diphenylethylenediamine]ruthenium(II); 二氯[(S)-(-)-2,2′-双(二苯基膦)-1,1′-联萘基][(1S,2S)-(-)-1,2-二苯基乙二胺]钌(II); 二氯[(R)-(+)-2,2′-双(二苯基膦)1,1′-联萘基][(1S,2S)-(-)-1,2-二苯基乙二胺]钌(II)

Database IDs

• CAS Number: 329736-05-2; 212210-87-2
• MDL Number: MFCD02684566
• PubChem SID: 162235417
• PubChem CID: 11528140

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• Molar Refractivity: 195.2244 cm^3
• Polarizability: 80.66715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C; 255 °C (dec.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C58H48Cl2N2P2Ru

DETAILS

Sigma Aldrich - 701823

General description
This product is a DMF/diethyl ether solvate
Packaging
100 mg in glass bottle

Sigma Aldrich - 701793

General description
This product is a DMF/Diethyl ether solvate
Packaging
100 mg in glass bottle