bromo(4-ethoxyphenyl)magnesium

• ChemBase ID: 144417
• Molecular Formular: C8H9BrMgO
• Molecular Mass: 225.36546
• Monoisotopic Mass: 223.96871861
• SMILES: CCOc1ccc(cc1)[Mg]Br
• Canonical SMILES: CCOc1ccc(cc1)[Mg]Br
• InChI: InChI=1S/C8H9O.BrH.Mg/c1-2-9-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q;;+1/p-1
• InChIKey: LSLTUAIHOGSOKB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-ethoxyphenyl)magnesium
• IUPAC Traditional name: bromo(4-ethoxyphenyl)magnesium
• Synonyms: 4-Ethoxyphenylmagnesium bromide solution

Database IDs

• CAS Number: 41842-30-2
• MDL Number: MFCD08741509
• PubChem SID: 162238632
• PubChem CID: 10911231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8771
• LogD (pH = 7.4): 1.8771
• Log P: 1.8771
• Molar Refractivity: 45.4213 cm^3
• Polarizability: 19.342802 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.004 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): C8H9BrMgO

DETAILS

Sigma Aldrich - 741760

Packaging
50, 100 mL in Sure/Seal™