bromomanganese; pentakis(methanidylidyneoxidanium)

• ChemBase ID: 147717
• Molecular Formular: C5BrMnO5
• Molecular Mass: 274.892549
• Monoisotopic Mass: 273.8309552
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]Br
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].Br[Mn]
• InChI: InChI=1S/5CO.BrH.Mn/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
• InChIKey: OESORJHGSXJTKX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromomanganese; pentakis(methanidylidyneoxidanium)
• IUPAC Traditional name: bromomanganese; pentakis(carbon monoxide)
• Synonyms: Bromopentacarbonylmanganese(I); 五羰基溴化锰(I)

Database IDs

• CAS Number: 14516-54-2
• EC Number: 238-522-8
• MDL Number: MFCD00049806
• PubChem SID: 24860973

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: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: BrMn(CO)5

DETAILS

Sigma Aldrich - 341622

Packaging
5 g in glass bottle