manganese(1+) ion pentakis(methanidylidyneoxidanium) bromide

• ChemBase ID: 303340
• 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-].[Mn+].[Br-]
• 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: manganese(1+) ion pentakis(methanidylidyneoxidanium) bromide
• IUPAC Traditional name: manganese(1+) ion pentakis(carbon monoxide) bromide
• Synonyms: Manganese pentacarbonyl bromide; Pentacarbonylbromomanganese(I); Bromopentacarbonylmanganese(I); 五羰基溴化锰(I)

Database IDs

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

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

Physical Property

• Apperance: Crystalline

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN3466
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25
• Safety Statements: 36-45
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331
• GHS Precautionary statements: P280F-P309-P310

Product Information

• Purity: 98%