tetrabutylazanium; tetrachloro(oxo)rheniumuide

• ChemBase ID: 147578
• Molecular Formular: C16H36Cl4NORe
• Molecular Mass: 586.48214
• Monoisotopic Mass: 585.1108535
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O=[Re-](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Re-](=O)(Cl)(Cl)Cl.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.4ClH.O.Re/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;/h5-16H2,1-4H3;4*1H;;/q+1;;;;;;+3/p-4
• InChIKey: RWOTWQYSOOLNQP-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium; tetrachloro(oxo)rheniumuide
• IUPAC Traditional name: tetrabutylammonium; tetrachloro(oxo)rheniumuide
• Synonyms: Tetrabutylammonium tetrachlorooxorhenate(V); 四丁基四氯氧代铼酸铵

Database IDs

• CAS Number: 53675-30-2
• PubChem SID: 24871363

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 154.4 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [CH3(CH2)3]4N(ReOCl4)

DETAILS

Sigma Aldrich - 477370

Packaging
1 g in glass bottle
Application
Reactant for:
• Olefin epoxidation1
• Assembly of noncyclic selective integrin antagonists2
• Cyclic trinuclear Oxorhenium(V) core compounds3
• Pharmacophore Re-cyclized octreotide analogues (somatostatin subtype 2 receptor ligands)4