bromo[2-(diethoxymethyl)phenyl]magnesium

• ChemBase ID: 143444
• Molecular Formular: C11H15BrMgO2
• Molecular Mass: 283.4446
• Monoisotopic Mass: 282.01058342
• SMILES: CCOC(c1ccccc1[Mg]Br)OCC
• Canonical SMILES: CCOC(c1ccccc1[Mg]Br)OCC
• InChI: InChI=1S/C11H15O2.BrH.Mg/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;;/h5-8,11H,3-4H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: OVIWRLWFLYDBTQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[2-(diethoxymethyl)phenyl]magnesium
• IUPAC Traditional name: bromo[2-(diethoxymethyl)phenyl]magnesium
• Synonyms: 2-(Benzaldehyde diethylacetal)magnesium bromide solution; 2-(苯甲醛二乙缩醛)溴化镁 溶液

Database IDs

• MDL Number: MFCD11553214
• PubChem SID: 162237663
• PubChem CID: 71310959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3881
• LogD (pH = 7.4): 2.3881
• Log P: 2.3881
• Molar Refractivity: 61.0549 cm^3
• Polarizability: 25.556398 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -.4 °F; -18 °C
• Density: 1.049 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• 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
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1 M in THF
• Empirical Formula (Hill Notation): C11H15BrMgO2

DETAILS

Sigma Aldrich - 732710

Packaging
50 mL in Sure/Seal™