sodium tetraphenylboranuide

• ChemBase ID: 108125
• Molecular Formular: C24H20BNa
• Molecular Mass: 342.21637
• Monoisotopic Mass: 342.15557532
• SMILES: [Na+].c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Na+]
• InChI: InChI=1S/C24H20B.Na/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: HFSRCEJMTLMDLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetraphenylboranuide
• IUPAC Traditional name: sodium tetraphenylborate; potassium tetraphenylborate
• Synonyms: Sodium tetraphenylborate, ACS; Tetraphenylboron sodium; Sodium tetraphenylborate; SODIUM TETRAPHENYLBORON, REAGENT GRADE; Sodium tetraphenylborate; 四苯基硼酸钠; 四苯基硼酸钠, ACS; 四苯基硼酸钠; 四苯硼钠

Database IDs

• CAS Number: 143-66-8
• EC Number: 205-605-5
• MDL Number: MFCD00011494
• Beilstein Number: 3599783
• Merck Index: 148690
• PubChem SID: 24886347; 24900045; 162095080; 24886345; 24886346
• PubChem CID: 2723787
• Wikipedia Title: Sodium_tetraphenylborate

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

• Solubility: 47 g/100 mL in water; soluble in ethanol
• Apperance: Powder; white solid
• Melting Point: >300 °C; >300°C

Safety Information

• Storage Warning: Light Sensitive
• RTECS: ED3362500
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22; 22-36/37/38; R:22-36/37/38
• Safety Statements: 26-36/37-60; S:20-26-37/39-46
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301; H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (NT); ≥99.5%; ≥99.5% (NT); 95+%; 99%; 99.5% min
• Grade: ACS reagent; puriss. p.a.; purum p.a.; REAGENT; Selectophore™
• Cation Traces: Ca: ≤100 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤200 mg/kg; K: ≤500 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.5% loss on drying; ≤0.5% loss on drying, 110 °C; ≤1% loss on drying, 100 °C
• Clarity of solution: passes test
• Linear Formula: (C6H5)4BNa

DETAILS

MP Biomedicals - 05206135

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 72018

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

Sigma Aldrich - 72022

Application
reagent on K, Pb, Cs, NH4 and alkaloides

Sigma Aldrich - 72020

Other Notes
Reagent for the precipitation and titration of potassium1,2; For the amperometric titration of amines, quaternary ammonium compounds and potassium3; For the titration of quaternary ammonium surfactants4; Titrant for amines and NH4Cl in the presence of a K selective electrode5

Sigma Aldrich - T25402

Packaging
5, 25, 100 g in glass bottle
Application
Generates stable, crystalline N-acylammonium salts by ion exchange.1 Couples with vinyl and aryl triflates to form arylalkenes and biaryls.2

REFERENCES

• Reagent for potassium by precipitation: Anal. Chem., 29, 1044 (1957).
• Has been used to protect amino acids by formation of a diphenylborinate chelate, stable to AcOH or TFA, but cleaved by base: Tetrahedron, 39, 2995 (1983); Liebigs Ann. Chem., 127 (1989):
  
• The cross coupling of tetraphenylborates or aryl boronic acids with aryl halides is catalyzed by Pd(OAc)₂ in aqueous solutions: Dokl. Chem. (Engl. Transl.),315, 354 (1990); see also: Gazz. Chem. Ital., 120, 779 (1990). Cross couples with vinyl and aryl triflates under Pd catalysis: Tetrahedron Lett., 35, 4835 (1992); 33, 4815 (1992). Similarly, allyl acetates are phenylated: Tetrahedron Lett., 31, 7453 (1990).