[2-(benzyloxy)phenyl](bromo)magnesium

• ChemBase ID: 140479
• Molecular Formular: C13H11BrMgO
• Molecular Mass: 287.43484
• Monoisotopic Mass: 285.98436867
• SMILES: c1ccc(cc1)COc1ccccc1[Mg]Br
• Canonical SMILES: Br[Mg]c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C13H11O.BrH.Mg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1-9H,11H2;1H;/q;;+1/p-1
• InChIKey: VELKJPFZDYXBDE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)phenyl](bromo)magnesium
• IUPAC Traditional name: [2-(benzyloxy)phenyl](bromo)magnesium
• Synonyms: 2-Benzyloxyphenylmagnesium bromide solution; 2-苄氧基苯基溴化镁 溶液

Database IDs

• CAS Number: 328000-16-4
• MDL Number: MFCD08705262
• PubChem SID: 162234723; 24885138
• PubChem CID: 13183249

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3112
• LogD (pH = 7.4): 3.3112
• Log P: 3.3112
• Molar Refractivity: 65.2853 cm^3
• Polarizability: 26.989695 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20 - -15 °C; -4 - 5 °F
• Density: 1.047 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF
• Empirical Formula (Hill Notation): C13H11BrMgO

DETAILS

Sigma Aldrich - 673013

Packaging
50 mL in Sure/Seal™