bromopentakis(oxidaniumylidynemethyl)rheniumpentauide

• ChemBase ID: 303651
• Molecular Formular: C5BrO5Re
• Molecular Mass: 406.1615
• Monoisotopic Mass: 405.8486631
• SMILES: Br[Re-5](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
• Canonical SMILES: Br[Re-5](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
• InChI: InChI=1S/5CO.BrH.Re/c5*1-2;;/h;;;;;1H;/q5*+1;;-4/p-1
• InChIKey: REOAFPXVWFFWHA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromopentakis(oxidaniumylidynemethyl)rheniumpentauide
• IUPAC Traditional name: bromopentakis(oxidaniumylidynemethyl)rheniumpentauide
• Synonyms: Pentacarbonylbromorhenium(I); Rhenium(I) pentacarbonyl bromide; Bromopentacarbonylrhenium(I); 五羰基溴化铼(I)

Database IDs

• CAS Number: 14220-21-4
• EC Number: 238-084-8
• MDL Number: MFCD00013295

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -17.949911
• LogD (pH = 7.4): -17.949911
• Log P: -17.949911
• Molar Refractivity: 94.0877 cm^3
• Polarizability: 20.778557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: ca 90°C subl.

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%