potassium tetrakis(4-phenylphenyl)boranuide

• ChemBase ID: 158021
• Molecular Formular: C48H36BK
• Molecular Mass: 662.70874
• Monoisotopic Mass: 662.25471323
• SMILES: [B-](c1ccc(cc1)c1ccccc1)(c1ccc(cc1)c1ccccc1)(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1.[K+]
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)[B-](c1ccc(cc1)c1ccccc1)(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1.[K+]
• InChI: InChI=1S/C48H36B.K/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;/h1-36H;/q-1;+1
• InChIKey: FMJZZAIWRYCJQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tetrakis(4-phenylphenyl)boranuide
• IUPAC Traditional name: potassium tetrakis(4-phenylphenyl)boranuide
• Synonyms: Tetrakis(4-biphenylyl)boron potassium; Potassium tetrakis(4-biphenylyl)borate; 四(对联苯)硼酸钾; 四(4-联苯基)硼酸钾

Database IDs

• CAS Number: 400762-49-4
• MDL Number: MFCD03095504
• PubChem SID: 24857047; 162252157
• PubChem CID: 23681134

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.6464
• LogD (pH = 7.4): 12.6464
• Log P: 12.6464
• Molar Refractivity: 202.442 cm^3
• Polarizability: 86.40397 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• 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
• 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% (CH); ≥97.0%
• Empirical Formula (Hill Notation): C48H36BK

DETAILS

Sigma Aldrich - 28242

General description
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