dodecakis(methanidylidyneoxidanium) triosmium

• ChemBase ID: 147960
• Molecular Formular: C12O12Os3
• Molecular Mass: 906.8112
• Monoisotopic Mass: 911.82341544
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Os].[Os].[Os]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Os].[Os].[Os]
• InChI: InChI=1S/12CO.3Os/c12*1-2
• InChIKey: VUBLMKVEIPBYME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecakis(methanidylidyneoxidanium) triosmium
• IUPAC Traditional name: dodecakis(carbon monoxide) triosmium
• Synonyms: Osmium carbonyl; tri-Osmium dodecacarbonyl; Triosmium dodecacarbonyl; Triosmium dodecacarbonyl; Dodecacarbonyltriosmium; 三锇十二羰基; 羰基锇; 十二羰基三锇

Database IDs

• CAS Number: 15696-40-9
• EC Number: 239-789-3
• MDL Number: MFCD00011149
• PubChem SID: 24855011; 162242141
• PubChem CID: 6096995

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 224 °C(lit.); 224°C

Safety Information

• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 22-36/37/38; 23/25
• Safety Statements: 22-26-36/37/39; 37-45
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H300-H330; H302-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 99%
• Grade: purum
• Linear Formula: Os3(CO)12

DETAILS

Sigma Aldrich - 249742

Packaging
1 g in glass bottle