bis(2-(pyridin-2-yl)pyridine) dichlororuthenium hydrate

• ChemBase ID: 146489
• Molecular Formular: C20H18Cl2N4ORu
• Molecular Mass: 502.35912
• Monoisotopic Mass: 501.99011558
• SMILES: c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.O.Cl[Ru]Cl
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.Cl[Ru]Cl.O
• InChI: InChI=1S/2C10H8N2.2ClH.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h2*1-8H;2*1H;1H2;/q;;;;;+2/p-2
• InChIKey: XBOQABVNRXVAKI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-(pyridin-2-yl)pyridine) dichlororuthenium hydrate
• IUPAC Traditional name: bis(bipyridyl) dichlororuthenium hydrate
• Synonyms: cis-Bis(2,2′-bipyridine)dichlororuthenium(II) hydrate; 顺-双(2,2-二吡啶)二氯化钌(II) 水合物

Database IDs

• CAS Number: 98014-14-3
• MDL Number: MFCD00150005
• PubChem SID: 24857319; 162240685
• PubChem CID: 16211844

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: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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

• Empirical Formula (Hill Notation): C20H16Cl2N4Ru · xH2O

DETAILS

Sigma Aldrich - 288128

Packaging
5 g in glass bottle
500 mg in glass bottle