chloropentakis(oxidaniumylidynemethyl)rheniumpentauide

• ChemBase ID: 303650
• Molecular Formular: C5ClO5Re
• Molecular Mass: 361.7105
• Monoisotopic Mass: 361.89917878
• SMILES: Cl[Re-5](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
• Canonical SMILES: Cl[Re-5](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
• InChI: InChI=1S/5CO.ClH.Re/c5*1-2;;/h;;;;;1H;/q5*+1;;-4/p-1
• InChIKey: LAKVZICUCSRGOM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloropentakis(oxidaniumylidynemethyl)rheniumpentauide
• IUPAC Traditional name: chloropentakis(oxidaniumylidynemethyl)rheniumpentauide
• Synonyms: Rhenium(I) pentacarbonyl chloride; Pentacarbonylchlororhenium(I); Chloropentacarbonylrhenium(I); 五羰基氯化铼(I)

Database IDs

• CAS Number: 14099-01-5
• EC Number: 237-948-1
• MDL Number: MFCD00013296

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -18.250511
• LogD (pH = 7.4): -18.250511
• Log P: -18.250511
• Molar Refractivity: 91.4888 cm^3
• Polarizability: 19.543322 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%