bromo[(3-bromophenyl)methyl]magnesium

• ChemBase ID: 151852
• Molecular Formular: C7H6Br2Mg
• Molecular Mass: 274.23554
• Monoisotopic Mass: 271.86866589
• SMILES: c1cc(cc(c1)Br)C[Mg]Br
• Canonical SMILES: Br[Mg]Cc1cccc(c1)Br
• InChI: InChI=1S/C7H6Br.BrH.Mg/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: OHXWEOZZKBJUTD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(3-bromophenyl)methyl]magnesium
• IUPAC Traditional name: bromo[(3-bromophenyl)methyl]magnesium
• Synonyms: 3-Bromobenzylmagnesium bromide, 0.25M in diethyl ether; 3-Bromobenzylmagnesium bromide, 0.25M in 2-MeTHF; 3-Bromobenzylmagnesium bromide solution; 3-溴苄基溴化镁, 0.25M 2-MeTHF 溶液; 3-溴苄基溴化镁 溶液

Database IDs

• CAS Number: 107549-22-4
• MDL Number: MFCD01319902
• PubChem SID: 24880008; 162245998
• PubChem CID: 16217187

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1494
• LogD (pH = 7.4): 3.1494
• Log P: 3.1494
• Molar Refractivity: 46.7229 cm^3
• Polarizability: 19.81536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34.6 °C; 34°C
• Flash Point: -40 °C; -40 °F; -45°C(-49°F)
• Density: 0.766; 0.766 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); X
• UN Number: 2924; UN2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1; I; II
• Risk Statements: 11-14-19-34; 12-14-19-22-34-67; 12-19-22-34-67
• Safety Statements: 3-9-16-23-26-33-36/37-60; 8-16-26-36/37-39-43-45; 9-16-26-33-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H314-H302-H336; H224-H314-H318-EUH014
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• RID/ADR: UN 2924 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in diethyl ether; 0.25M in 2-MeTHF; 0.5M in THF
• Linear Formula: BrC6H4CH2MgBr

DETAILS

Sigma Aldrich - 562130

General description
To ensure proper transfer of product, provide agitation when transferring.
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.