bromo(4-methoxyphenyl)magnesium

• ChemBase ID: 150432
• 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: bromo(4-methoxyphenyl)magnesium
• IUPAC Traditional name: bromo(4-methoxyphenyl)magnesium
• Synonyms: 4-Anisylmagnesium bromide; 4-Methoxyphenylmagnesium bromide, 0.25M in THF; 4-Methoxyphenylmagnesium bromide solution; 4-Methoxyphenylmagnesium bromide, 1.0 M in 2-MeTHF; 4-甲氧基苯基溴化镁,0.25M 2-MeTHF溶液; 4-甲氧基苯基溴化镁 溶液; 4-甲氧基苯基溴化镁,1.0M 2-MeTHF溶液

Database IDs

• CAS Number: 13139-86-1
• MDL Number: MFCD00013515
• PubChem SID: 24870649; 162244593
• PubChem CID: 2734898

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5346
• LogD (pH = 7.4): 1.5346
• Log P: 1.5346
• Molar Refractivity: 40.6727 cm^3
• Polarizability: 17.532217 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: -20 °C; -20°C(-4°F); -4 °F
• Density: 0.955; 0.955 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 8-16-26-36/37/39-43-45; 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335; H225-H314-H351-H335; H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338-P310; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.25M in THF; 0.5 M in THF; 1.0 M in 2-MeTHF
• Linear Formula: CH3OC6H4MgBr

DETAILS

Sigma Aldrich - 470260

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™