bromo[(2-phenylphenyl)methyl]zinc

• ChemBase ID: 138450
• Molecular Formular: C13H11BrZn
• Molecular Mass: 312.51044
• Monoisotopic Mass: 309.93355435
• SMILES: c1ccc(cc1)c1ccccc1C[Zn]Br
• Canonical SMILES: Br[Zn]Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H11.BrH.Zn/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;;/h2-10H,1H2;1H;/q;;+1/p-1
• InChIKey: AYMXZVLUORYADV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(2-phenylphenyl)methyl]zinc
• IUPAC Traditional name: bromo[(2-phenylphenyl)methyl]zinc
• Synonyms: (2-Biphenylylmethyl)zinc bromide solution; (2-二苯基甲基)溴化锌 溶液

Database IDs

• CAS Number: 312624-17-2
• MDL Number: MFCD01311439
• PubChem SID: 162232706; 24873131
• PubChem CID: 4616640

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.042
• LogD (pH = 7.4): 4.042
• Log P: 4.042
• Molar Refractivity: 64.2363 cm^3
• Polarizability: 28.917679 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.983 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

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6H5C6H4CH2ZnBr

DETAILS

Sigma Aldrich - 497622

Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.