tetrabutylazanium; tetraphenylboranuide

• ChemBase ID: 132106
• Molecular Formular: C40H56BN
• Molecular Mass: 561.69034
• Monoisotopic Mass: 561.4505812
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C24H20B.C16H36N/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;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1
• InChIKey: ZHCCBGAUZWZGQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium; tetraphenylboranuide
• IUPAC Traditional name: tetrabutylammonium tetraphenylborate
• Synonyms: Tetraphenylboron tetrabutylammonium; Tetrabutylammonium tetraphenylborate; Tetra-n-butylammonium tetraphenylborate; 四正丁铵四苯硼酸盐; 四正丁基四苯基硼酸铵

Database IDs

• CAS Number: 15522-59-5
• EC Number: 239-562-9
• MDL Number: MFCD00011749
• Beilstein Number: 3857215
• PubChem SID: 24856964; 24888813; 162226383
• PubChem CID: 3084234

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: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetonitrile: soluble0.1 g/mL, clear, colorless
• Melting Point: 230-236 °C; 230-236 °C(lit.); 232-235°C; 233-237 °C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0%; ≥99.0% (NT); 99%; 99+%
• Grade: for electrochemical analysis; puriss.
• Linear Formula: (CH3CH2CH2CH2)4N[B(C6H5)4]

DETAILS

Sigma Aldrich - 281034

Packaging
5 g in glass bottle

Sigma Aldrich - 86897

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Supporting electrolyte (e.g. calibration of conductometric cells)1

REFERENCES

• Supporting electrolyte and standard for cell calibration: Chem. Abs., 81, 82956a.