bromo(4-phenylphenyl)magnesium

• ChemBase ID: 151844
• Molecular Formular: C12H9BrMg
• Molecular Mass: 257.40886
• Monoisotopic Mass: 255.97380399
• SMILES: c1ccc(cc1)c1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H9.BrH.Mg/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1,3-10H;1H;/q;;+1/p-1
• InChIKey: NACCJOIEZISYCU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-phenylphenyl)magnesium
• IUPAC Traditional name: bromo(4-phenylphenyl)magnesium
• Synonyms: 4-Biphenylmagnesium bromide solution; 4-联苯溴化镁 溶液

Database IDs

• CAS Number: 3315-91-1
• MDL Number: MFCD01311479
• PubChem SID: 162245990; 24879996
• PubChem CID: 10978121

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4717
• LogD (pH = 7.4): 3.4717
• Log P: 3.4717
• Molar Refractivity: 59.3457 cm^3
• Polarizability: 25.759935 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: 1.4 °F; -17 °C
• Density: 0.961 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6H5C6H4MgBr

DETAILS

Sigma Aldrich - 562009

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