rubidium(1+) ion tetraphenylboranuide

• ChemBase ID: 145445
• Molecular Formular: C24H20BRb
• Molecular Mass: 404.6944
• Monoisotopic Mass: 404.07759504
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Rb+]
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Rb+]
• InChI: InChI=1S/C24H20B.Rb/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1
• InChIKey: SQJLZQVNFRBQQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rubidium(1+) ion tetraphenylboranuide
• IUPAC Traditional name: rubidium(1+) ion tetraphenylborate
• Synonyms: Rubidium tetraphenylborate; 四苯基硼酸铷

Database IDs

• CAS Number: 5971-93-7
• MDL Number: MFCD00075331
• PubChem SID: 24861340; 162239651
• PubChem CID: 23676742

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9088
• LogD (pH = 7.4): 5.9088
• Log P: 5.9088
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 41.872147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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

• Purity: 95%
• Linear Formula: (C6H5)4BRb

DETAILS

Sigma Aldrich - 345679

Packaging
1 g in glass bottle
Application
Reactant for investigating n(Arene) interactions for alkali metals with π- and σ-Modalities1