tris(2-methoxyphenyl)bismuthane

• ChemBase ID: 147305
• Molecular Formular: C21H21BiO3
• Molecular Mass: 530.37004
• Monoisotopic Mass: 530.12946753
• SMILES: COc1ccccc1[Bi](c1ccccc1OC)c1ccccc1OC
• Canonical SMILES: COc1ccccc1[Bi](c1ccccc1OC)c1ccccc1OC
• InChI: InChI=1S/3C7H7O.Bi/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3
• InChIKey: VFWRGMGLLNCHIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methoxyphenyl)bismuthane
• IUPAC Traditional name: tris(2-methoxyphenyl)bismuthane
• Synonyms: Tris(2-methoxyphenyl)bismuthine; 三(2-甲氧苯基)铋

Database IDs

• CAS Number: 83724-41-8
• MDL Number: MFCD00092705
• PubChem SID: 162241495; 24872051
• PubChem CID: 2734045

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1985
• LogD (pH = 7.4): 4.1985
• Log P: 4.1985
• Molar Refractivity: 95.8125 cm^3
• Polarizability: 44.447266 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 162-165 °C(lit.)

Safety Information

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

Product Information

• Linear Formula: (CH3OC6H4)3Bi

DETAILS

Sigma Aldrich - 485276

Packaging
1, 10 g in glass bottle