nitrosorutheniumtris(ylium) trinitrate

• ChemBase ID: 149558
• Molecular Formular: N4O10Ru
• Molecular Mass: 317.0908
• Monoisotopic Mass: 317.86579122
• SMILES: N(=O)[Ru+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O=N[Ru+3]
• InChI: InChI=1S/3NO3.NO.Ru/c3*2-1(3)4;1-2;/q4*-1;+4
• InChIKey: VAAILMLOAHTPQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitrosorutheniumtris(ylium) trinitrate
• IUPAC Traditional name: nitrosorutheniumtris(ylium) trinitrate
• Synonyms: Ruthenium(III) nitrosyl nitrate solution; 亚硝酰硝酸钌(III) 溶液

Database IDs

• CAS Number: 34513-98-9
• MDL Number: MFCD00016313
• PubChem SID: 162243723; 24863244
• PubChem CID: 13644084

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Density: 1.07 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2031
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2031 8/PG 2

Product Information

• Concentration: in dilute nitric acid
• Impurities: 1.5% Ru
• Linear Formula: Ru(NO)(NO3)x(OH)y, x+y=3

DETAILS

Sigma Aldrich - 373567

Packaging
25, 250 mL in glass bottle