(4-methoxyphenyl)magnesiumylium bromide

• ChemBase ID: 303904
• Molecular Formular: C7H7BrMgO
• Molecular Mass: 211.33888
• Monoisotopic Mass: 209.95306854
• SMILES: COc1ccc(cc1)[Mg+].[Br-]
• Canonical SMILES: COc1ccc(cc1)[Mg+].[Br-]
• InChI: InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1
• InChIKey: JKXAZEXIOPFJSC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)magnesiumylium bromide
• IUPAC Traditional name: (4-methoxyphenyl)magnesiumylium bromide
• Synonyms: 4-Anisylmagnesium bromide; 4-Methoxyphenylmagnesium bromide, 0.5M in THF; 4-甲氧基苯基溴化镁,0.5M THF溶液

Database IDs

• CAS Number: 13139-86-1
• MDL Number: MFCD00013515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5995
• LogD (pH = 7.4): 0.5995
• Log P: 0.5995
• Molar Refractivity: 31.9375 cm^3
• Polarizability: 14.545465 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: -20°C(-4°F)
• Density: 0.955

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: 11-14-19-34-37
• Safety Statements: 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Hazard statements: H225-H314-H351-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.5M in THF