bis(acetonitrile); tetrachlororutheniumuide; tetraethylazanium

• ChemBase ID: 136883
• Molecular Formular: C12H26Cl4N3Ru
• Molecular Mass: 455.23694
• Monoisotopic Mass: 453.99243257
• SMILES: CC[N+](CC)(CC)CC.CC#N.CC#N.Cl[Ru-](Cl)(Cl)Cl
• Canonical SMILES: Cl[Ru-](Cl)(Cl)Cl.CC[N+](CC)(CC)CC.CC#N.CC#N
• InChI: InChI=1S/C8H20N.2C2H3N.4ClH.Ru/c1-5-9(6-2,7-3)8-4;2*1-2-3;;;;;/h5-8H2,1-4H3;2*1H3;4*1H;/q+1;;;;;;;+3/p-4
• InChIKey: PWOMJBDRHXYGAE-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetonitrile); tetrachlororutheniumuide; tetraethylazanium
• IUPAC Traditional name: bis(acetonitrile); tetrachlororutheniumuide; tetraethylammonium
• Synonyms: Tetraethylammonium bis(acetonitrile)tetrachlororuthenate(III); 四乙基铵双(乙腈)四氯钌(III)酸盐

Database IDs

• CAS Number: 74077-58-0
• MDL Number: MFCD00134266
• PubChem SID: 162231150; 24862211
• PubChem CID: 16212316

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 °C (dec.)(lit.)

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

• Linear Formula: (C2H5)4N[(CH3CN)2RuCl4]