bromo(4-phenoxyphenyl)magnesium

• ChemBase ID: 151908
• Molecular Formular: C12H9BrMgO
• Molecular Mass: 273.40826
• Monoisotopic Mass: 271.96871861
• SMILES: c1ccc(cc1)Oc1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C12H9O.BrH.Mg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1,3-10H;1H;/q;;+1/p-1
• InChIKey: DTIKYZPTJRZFTL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-phenoxyphenyl)magnesium
• IUPAC Traditional name: bromo(4-phenoxyphenyl)magnesium
• Synonyms: 4-Phenoxyphenylmagnesium bromide solution; 4-苯氧基苯基溴化镁 溶液

Database IDs

• CAS Number: 21473-02-9
• MDL Number: MFCD00672009
• PubChem SID: 162246054; 24879962
• PubChem CID: 13467796

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2163
• LogD (pH = 7.4): 3.2163
• Log P: 3.2163
• Molar Refractivity: 60.4503 cm^3
• Polarizability: 25.218832 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Density: 0.968 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 19-36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6H5OC6H4MgBr

DETAILS

Sigma Aldrich - 561681

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