(acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphanium

• ChemBase ID: 138325
• Molecular Formular: C26H23Cl2O4PRu
• Molecular Mass: 602.408181
• Monoisotopic Mass: 601.97545021
• SMILES: CC(=O)O[Ru-](=O)(=O)(Cl)Cl.c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)O[Ru-](=O)(=O)(Cl)Cl
• InChI: InChI=1S/C24H20P.C2H4O2.2ClH.2O.Ru/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2(3)4;;;;;/h1-20H;1H3,(H,3,4);2*1H;;;/q+1;;;;;;+2/p-3
• InChIKey: JLAOFAGYFHZYIW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphanium
• IUPAC Traditional name: (acetyloxy)dichlorodioxorutheniumuide; tetraphenylphosphonium
• Synonyms: Tetraphenylphosphonium acetatodichlorodioxoruthenate(VI); 四苯基膦乙酸二氯二氧钌(VI)酸盐

Database IDs

• CAS Number: 131083-49-3
• MDL Number: MFCD00075562
• PubChem SID: 162232581
• PubChem CID: 71310132

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 213 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36/37/39
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Linear Formula: (C6H5)4P(CH3CO2RuO2Cl2)