phenylmagnesiumylium bromide

• ChemBase ID: 303679
• Molecular Formular: C6H5BrMg
• Molecular Mass: 181.3129
• Monoisotopic Mass: 179.94250386
• SMILES: c1ccc(cc1)[Mg+].[Br-]
• Canonical SMILES: [Mg+]c1ccccc1.[Br-]
• InChI: InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
• InChIKey: ANRQGKOBLBYXFM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmagnesiumylium bromide
• IUPAC Traditional name: phenylmagnesiumylium bromide
• Synonyms: Phenylmagnesium bromide, 3M in ether; Phenylmagnesium bromide, 3 M in ether; 苯基溴化镁, 3M乙醚溶液; 苯基溴化镁, 3M 乙醚溶液, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 100-58-3
• MDL Number: MFCD00000038

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8522
• LogD (pH = 7.4): 0.8522
• Log P: 0.8522
• Molar Refractivity: 25.4743 cm^3
• Polarizability: 12.052695 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.14

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Highly flammable (F+); X
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 12-14/15-19-22-35-66-67
• Safety Statements: 9-16-26-29-30-33-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Hazard statements: H224-H261-H301-H336-H314-H318
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 3M in ether
• Packaging: packaged under Argon in resealable ChemSeal? bottles