bromo(4-phenylphenyl)zinc

• ChemBase ID: 145188
• Molecular Formular: C12H9BrZn
• Molecular Mass: 298.48386
• Monoisotopic Mass: 295.91790429
• SMILES: c1ccc(cc1)c1ccc(cc1)[Zn]Br
• Canonical SMILES: Br[Zn]c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H9.BrH.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-10H;1H;/q;;+1/p-1
• InChIKey: JCLWMQNHWLMWKC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-phenylphenyl)zinc
• IUPAC Traditional name: bromo(4-phenylphenyl)zinc
• Synonyms: 4-Biphenylzinc bromide solution; 4-联苯溴化锌 溶液

Database IDs

• CAS Number: 312693-44-0
• MDL Number: MFCD02093780
• PubChem SID: 162239398; 24874440
• PubChem CID: 24722605

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8767
• LogD (pH = 7.4): 3.8767
• Log P: 3.8767
• Molar Refractivity: 59.3457 cm^3
• Polarizability: 27.093058 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 0.994 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 14-19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6H5C6H4ZnBr

DETAILS

Sigma Aldrich - 524727

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.