tetraphenylboranuide; tetraphenylphosphanium

• ChemBase ID: 158327
• Molecular Formular: C48H40BP
• Molecular Mass: 658.615961
• Monoisotopic Mass: 658.29606831
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20B.C24H20P/c2*1-5-13-21(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/h2*1-20H/q-1;+1
• InChIKey: QYFWPOPFFBCTLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylboranuide; tetraphenylphosphanium
• IUPAC Traditional name: tetraphenylphosphonium tetraphenylborate
• Synonyms: Tetraphenylboron tetraphenylphosphonium; Tetraphenylphosphonium tetraphenylborate; Tetraphenylphosphonium tetraphenylborate; 四苯基膦四苯基硼酸酯; 四苯基硼酸四苯基膦

Database IDs

• CAS Number: 15525-15-2
• MDL Number: MFCD00145389
• Beilstein Number: 3890798
• PubChem SID: 162252463; 24889045
• PubChem CID: 9831062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%
• Grade: Selectophore™
• Empirical Formula (Hill Notation): C48H40BP

DETAILS

Sigma Aldrich - 88065

General description
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Other Notes
Lipophilic salt used in liquid-membrane anion-selective electrodes1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH