λ2-ruthenium(2+) ion tris(2-[(2H4)pyridin-2-yl](2H4)pyridine) bis(hexafluoro-λ5-phosphanuide)

• ChemBase ID: 144521
• Molecular Formular: C30H24F12N6P2Ru
• Molecular Mass: 859.5501204
• Monoisotopic Mass: 860.0389557
• SMILES: c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.c1ccnc(c1)c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• InChI: InChI=1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
• InChIKey: KLDYQWXVZLHTKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion tris(2-[(^2H₄)pyridin-2-yl](^2H₄)pyridine) bis(hexafluoro-λ^5-phosphanuide)
• IUPAC Traditional name: λ^2-ruthenium(2+) ion tris(2-[(^2H₄)pyridin-2-yl](^2H₄)pyridine) dihexafluorophosphate
• Synonyms: Tris(2,2′-bipyridyl-d8)ruthenium(II) hexafluorophosphate; 三(2,2′-联吡啶-d8) 六氟磷酸钌(II)

Database IDs

• CAS Number: 67573-02-8
• MDL Number: MFCD07369761
• PubChem SID: 24883881; 162238733
• PubChem CID: 71311090

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: 19.623108 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)
• Mass Shift: M+24

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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): C30D24F12N6P2Ru

DETAILS

Sigma Aldrich - 652407

Application
High efficiency triplet emitter for OLED/Sensor research.1
Packaging
100 mg in glass bottle