decakis(methanidylidyneoxidanium) dirhenium

• ChemBase ID: 147755
• Molecular Formular: C10O10Re2
• Molecular Mass: 652.515
• Monoisotopic Mass: 653.8606522
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Re].[Re]
• InChI: InChI=1S/10CO.2Re/c10*1-2
• InChIKey: ZIZHEHXAMPQGEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decakis(methanidylidyneoxidanium) dirhenium
• IUPAC Traditional name: decakis(carbon monoxide) dirhenium
• Synonyms: Rhenium carbonyl; Dirhenium decacarbonyl; 羰基铼; 十羰基二铼

Database IDs

• CAS Number: 14285-68-8
• EC Number: 238-202-8
• MDL Number: MFCD00011198
• PubChem SID: 24854726; 162241938
• PubChem CID: 498777

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

• Melting Point: 170 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3466 6.1/PG 3

Product Information

• Purity: 98%
• Linear Formula: Re2(CO)10

DETAILS

Sigma Aldrich - 245003

Packaging
5 g in glass bottle