tris(2-(pyridin-2-yl)pyridine) dichlororuthenium hexahydrate

• ChemBase ID: 147128
• Molecular Formular: C30H36Cl2N6O6Ru
• Molecular Mass: 748.61944
• Monoisotopic Mass: 748.11168726
• SMILES: c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.O.O.O.O.O.O.Cl[Ru]Cl
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.Cl[Ru]Cl.O.O.O.O.O.O
• 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: tris(2-(pyridin-2-yl)pyridine) dichlororuthenium hexahydrate
• IUPAC Traditional name: tris(bipyridyl) dichlororuthenium hexahydrate
• Synonyms: Ru(BPY)3; Ruthenium-tris(2,2′-bipyridyl) dichloride; Tris(2,2′-bipyridyl)ruthenium(II) chloride hexahydrate; Tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate; Tris(2,2′-bipyridine)dichlororuthenium(II) hexahydrate; 三(2,2′-联吡啶)氯化钌(II) 六水合物; 三联吡啶氯化钌; 氯化三(2,2'-联吡啶)钌(II) 六水合物

Database IDs

• CAS Number: 50525-27-4
• MDL Number: MFCD00149670
• PubChem SID: 24889832; 162241319; 24878800; 24853454
• PubChem CID: 16211607

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: powder
• Melting Point: >300 °C(lit.)

Safety Information

• RTECS: VM2730000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.95% trace metals basis
• Grade: technical
• Empirical Formula (Hill Notation): C30H24Cl2N6Ru · 6H2O

DETAILS

Sigma Aldrich - 224758

Packaging
1, 5 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 544981

Packaging
1 g in glass bottle

Sigma Aldrich - 93307

Other Notes
Catalyst used in light-induced redox reactions1; Important catalyst in studies towards photochemical water splitting2