ruthenium(2+) ion tris(2-(pyridin-2-yl)pyridine) hexahydrate dichloride

• ChemBase ID: 108694
• Molecular Formular: C30H36Cl2N6O6Ru
• Molecular Mass: 748.61944
• Monoisotopic Mass: 748.11168726
• SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.O.O.O.O.O.O.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/3C10H8N2.2ClH.6H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
• InChIKey: WHELTKFSBJNBMQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: ruthenium(2+) ion tris(2-(pyridin-2-yl)pyridine) hexahydrate dichloride; λ^2-ruthenium(2+) ion tris(2-(pyridin-2-yl)pyridine) hexahydrate dichloride
• IUPAC Traditional name: ruthenium(2+) tris(bipyridyl) hexahydrate dichloride; λ^2-ruthenium(2+) ion tris(bipyridyl) hexahydrate dichloride
• Synonyms: 2,2'-BIPYRIDINE RUTHENOUS DICHLORIDE HEXAHYDRATE; Tris(2,2'-bipyridyl)dichlororuthenium(II); Tris(2,2'-bipyridine)ruthenium(II) chloride hexahydrate; 六水合三(2,2'-联吡啶)氯化钌(II)

Database IDs

• CAS Number: 50525-27-4
• EC Number: 238-266-7
• MDL Number: MFCD00149670
• PubChem SID: 162094700
• PubChem CID: 2724201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 63-66°C

Safety Information

• RTECS: VM2730000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

DETAILS

MP Biomedicals - 05208342

MP Biomedicals Rare Chemical collection