sodium tetrakis(4-fluorophenyl)boranuide dihydrate

• ChemBase ID: 151837
• Molecular Formular: C24H20BF4NaO2
• Molecular Mass: 450.2087828
• Monoisotopic Mass: 450.13901744
• SMILES: [B-](c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.O.O.[Na+]
• Canonical SMILES: Fc1ccc(cc1)[B-](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.O.O.[Na+]
• InChI: InChI=1S/C24H16BF4.Na.2H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;;/h1-16H;;2*1H2/q-1;+1
• InChIKey: MSDGDEJOIBMWJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetrakis(4-fluorophenyl)boranuide dihydrate
• IUPAC Traditional name: sodium tetrakis(4-fluorophenyl)boranuide dihydrate
• Synonyms: Cesibor; Tetrakis(4-fluorophenyl)boron sodium; Sodium tetrakis(4-fluorophenyl)borate dihydrate; 四(4-氟苯基)硼 钠; 四(4-氟苯基)硼酸钠 二水合物

Database IDs

• CAS Number: 207683-22-5
• MDL Number: MFCD00149598
• Beilstein Number: 4285808
• PubChem SID: 24886342; 162245983; 24857703; 24886343
• PubChem CID: 45073643

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4668
• LogD (pH = 7.4): 6.4668
• Log P: 6.4668
• Molar Refractivity: 102.7628 cm^3
• Polarizability: 40.165684 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: 26-36
• 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

• Purity: ≥97.0%; ≥97.0% (NT); 98%
• Grade: Selectophore™
• Impurities: <2% acetone
• Linear Formula: (FC6H4)4BNa·2H2O

DETAILS

Sigma Aldrich - 72016

Other Notes
Reagent for the gravimetric determination of cesium1
Packaging
100, 500 mg in glass bottle

Sigma Aldrich - 294128

Packaging
1, 5 g in glass bottle
500 mg in glass bottle
Application
Reagent for the two-phase titration of nonionic surfactants in the presence of anionic surfactants.1

Sigma Aldrich - 72014

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH