caesium(1+) ion tetraphenylboranuide

• ChemBase ID: 140642
• Molecular Formular: C24H20BCs
• Molecular Mass: 452.13205
• Monoisotopic Mass: 452.07125704
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cs+]
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Cs+]
• InChI: InChI=1S/C24H20B.Cs/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: UNGHRMDIEUCTPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion tetraphenylboranuide
• IUPAC Traditional name: caesium(1+) ion tetraphenylborate
• Synonyms: Cesium tetraphenylborate; 四苯基硼酸铯

Database IDs

• CAS Number: 3087-82-9
• MDL Number: MFCD01321247
• PubChem SID: 24870356; 162234883
• PubChem CID: 23678324

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

Physical Property

• Melting Point: >400 °C(lit.)

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: 98%
• Linear Formula: (C6H5)4BCs

DETAILS

Sigma Aldrich - 466654

Packaging
1 g in glass bottle
Application
Reactant for synthesis of:
• Complexes of alkali metal tetraphenylborates with macrocyclic crown ethers1
• [C6F5Xe]+ salts of weakly coordinating borate anions2
• Alkali metals with π- and σ-modalities3