bromo[(4-bromophenyl)methyl]magnesium

• ChemBase ID: 295136
• Molecular Formular: C7H6Br2Mg
• Molecular Mass: 274.23554
• Monoisotopic Mass: 271.86866589
• SMILES: c1cc(ccc1C[Mg]Br)Br
• Canonical SMILES: Br[Mg]Cc1ccc(cc1)Br
• InChI: InChI=1S/C7H6Br.BrH.Mg/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: ZEADKXRLFWGIST-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(4-bromophenyl)methyl]magnesium
• IUPAC Traditional name: bromo[(4-bromophenyl)methyl]magnesium
• Synonyms: 4-Bromobenzylmagnesium bromide, 0.25M in 2-MeTHF; 4-Bromobenzylmagnesium bromide, 0.25M in diethyl ether; 4-溴苄基溴化镁, 0.25M 2-MeTHF 溶液

Database IDs

• CAS Number: 92206-72-9
• MDL Number: MFCD01319901
• PubChem SID: 180680667
• PubChem CID: 11737399

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: 19.815342 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
• Flash Point: -45°C(-49°F)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); X
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: I; II
• Risk Statements: 11-14-19-34; 12-19-22-34-67
• Safety Statements: 16-26-36/37/39-45; 3-9-16-23-26-33-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H314-H302-H336; H225-H314-H313
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.25M in 2-MeTHF; 0.5M in THF