bromo(3,4-dimethylphenyl)magnesium

• ChemBase ID: 298649
• Molecular Formular: C8H9BrMg
• Molecular Mass: 209.36606
• Monoisotopic Mass: 207.97380399
• SMILES: Cc1ccc(cc1C)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(c(c1)C)C
• InChI: InChI=1S/C8H9.BrH.Mg/c1-7-5-3-4-6-8(7)2;;/h3,5-6H,1-2H3;1H;/q;;+1/p-1
• InChIKey: VMCHYKKMHINIHC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4-dimethylphenyl)magnesium
• IUPAC Traditional name: bromo(3,4-dimethylphenyl)magnesium
• Synonyms: 3,4-Dimethylphenylmagnesium bromide, 0.5M in 2-MeTHF; 3,4-二甲基苯基溴化镁,0.5M 2-甲基四氢呋喃溶液

Database IDs

• MDL Number: MFCD01311496
• PubChem SID: 180684180
• PubChem CID: 11745878

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7217
• LogD (pH = 7.4): 2.7217
• Log P: 2.7217
• Molar Refractivity: 44.2919 cm^3
• Polarizability: 18.4574 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-14-19-34
• Safety Statements: 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H314-H318-EUH014
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501

Product Information

• Concentration: 0.5M in 2-MeTHF