sodium tetrakis(4-methylphenyl)boranuide

• ChemBase ID: 158440
• Molecular Formular: C28H28BNa
• Molecular Mass: 398.32269
• Monoisotopic Mass: 398.21817558
• SMILES: [B-](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[Na+]
• Canonical SMILES: Cc1ccc(cc1)[B-](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[Na+]
• InChI: InChI=1S/C28H28B.Na/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;/h5-20H,1-4H3;/q-1;+1
• InChIKey: VVPGHQQFKGSIPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetrakis(4-methylphenyl)boranuide
• IUPAC Traditional name: sodium tetrakis(4-methylphenyl)boranuide
• Synonyms: Sodium tetrakis(4-methylphenyl)borate; Tetra(p-tolyl)boron sodium; Sodium tetra(p-tolyl)borate; 四(4-甲苯基)硼酸钠; 四(对甲苯基)硼酸钠盐; 四(对甲苯基)硼酸钠

Database IDs

• CAS Number: 15738-23-5
• MDL Number: MFCD00672225
• Beilstein Number: 4072242
• PubChem SID: 24889282; 162252576
• PubChem CID: 23663348

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7776
• LogD (pH = 7.4): 7.7776
• Log P: 7.7776
• Molar Refractivity: 122.062 cm^3
• Polarizability: 48.91157 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• 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: ≥99.0%; ≥99.0% (NT)
• Grade: Selectophore™
• Empirical Formula (Hill Notation): C28H28BNa

DETAILS

Sigma Aldrich - 89838

General description
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Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH