tris(1,10-phenanthroline) dichlororuthenium hydrate

• ChemBase ID: 149837
• Molecular Formular: C36H26Cl2N6ORu
• Molecular Mass: 730.60724
• Monoisotopic Mass: 730.05886384
• SMILES: c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.O.Cl[Ru]Cl
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.Cl[Ru]Cl.O
• InChI: InChI=1S/3C12H8N2.2ClH.H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h3*1-8H;2*1H;1H2;/q;;;;;;+2/p-2
• InChIKey: WGNGRGQLNAWTJI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(1,10-phenanthroline) dichlororuthenium hydrate
• IUPAC Traditional name: dichlororuthenium tris(phen) hydrate
• Synonyms: Tris(1,10-phenanthroline)ruthenium(II) chloride hydrate; Dichlorotris(1,10-phenanthroline)ruthenium(II) hydrate; 三(1,10-邻二氮杂菲)氯化钌(II) 水合物; 二氯三(1,10-菲罗啉)钌(II) 水合物

Database IDs

• CAS Number: 207802-45-7
• MDL Number: MFCD00799695
• PubChem SID: 24861192; 162243999
• PubChem CID: 71311432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C36H24Cl2N6Ru · xH2O

DETAILS

Sigma Aldrich - 343714

Packaging
1, 5 g in glass bottle