dichlororuthenium; {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane

• ChemBase ID: 141189
• Molecular Formular: C44H32Cl2P2Ru
• Molecular Mass: 794.648402
• Monoisotopic Mass: 794.03997864
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.Cl[Ru]Cl
• 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
• InChIKey: YEKBVMDAGDTOQB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlororuthenium; {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane
• IUPAC Traditional name: binap; dichlororuthenium
• Synonyms: [(1S)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine-κP]]dichloro-ruthenium; (S)-BINAP dichlororuthenium complex; (S)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine]ruthenium complex; (S)-[2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl]dichlororuthenium; [(R)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine-κP]]dichloro-ruthenium; (R)-BINAP dichlororuthenium complex; (R)-[1,1′-Binaphthalene]-2,2′-diylbis[diphenylphosphine]ruthenium complex; (R)-[2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl]dichlororuthenium; (S)-BINAP 二氯化钌络合物; (S)-[1,1′-联萘]-2,2′-二基双[二苯膦]钌络合物; (S)-[2,2′-双(二苯基膦)-1,1′-联萘]二氯化钌; (R)-BINAP 二氯化钌络合物; (R)-[1,1′-联萘]-2,2′-二基双[二苯膦]钌络合物; (R)-[2,2′-双(二苯基膦)-1,1′-联萘]二氯化钌

Database IDs

• CAS Number: 132071-87-5; 134524-84-8
• MDL Number: MFCD01073794
• PubChem SID: 162235424
• PubChem CID: 11136527

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: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C44H32Cl2P2Ru

DETAILS

Sigma Aldrich - 701572

Packaging
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 701564

Packaging
250 mg in glass bottle