triphenylbismuthane

• ChemBase ID: 136408
• Molecular Formular: C18H15Bi
• Molecular Mass: 440.2921
• Monoisotopic Mass: 440.09777348
• SMILES: c1ccc(cc1)[Bi](c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Bi](c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H
• InChIKey: ZHXAZZQXWJJBHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylbismuthane
• IUPAC Traditional name: bismuthine, triphenyl-
• Synonyms: TPB; Triphenylbismuth; Triphenylbismuthine; Bismuth triphenyl; 三苯基铋

Database IDs

• CAS Number: 603-33-8
• EC Number: 210-033-4
• MDL Number: MFCD00014064
• PubChem SID: 162230678
• PubChem CID: 11774

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9566
• LogD (pH = 7.4): 4.9566
• Log P: 4.9566
• Molar Refractivity: 76.4229 cm^3
• Polarizability: 36.770214 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in alcohol. Soluble in ether, acetone and chloroform. Insoluble in water
• Apperance: Powder
• Melting Point: 76-81 °C; 78-78.5°C
• Boiling Point: 242°C/14mm
• Density: 1.585

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22; 22
• Safety Statements: 36; 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301; H302-H312-H332
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A; P280

Product Information

• Purity: 95+%; 98% (99.9% trace metals basis); 99+%
• Linear Formula: Bi(C6H5)3

DETAILS

Sigma Aldrich - 737321

Packaging
1 g in glass bottle