bromo(3-methoxyphenyl)magnesium

• ChemBase ID: 145407
• Molecular Formular: C7H7BrMgO
• Molecular Mass: 211.33888
• Monoisotopic Mass: 209.95306854
• SMILES: COc1cccc(c1)[Mg]Br
• Canonical SMILES: COc1cccc(c1)[Mg]Br
• InChI: InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1
• InChIKey: AJKNYEHIJAMGHX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-methoxyphenyl)magnesium
• IUPAC Traditional name: bromo(3-methoxyphenyl)magnesium
• Synonyms: 3-Methoxyphenylmagnesium bromide solution; 3-甲氧基苯基溴化镁 溶液

Database IDs

• CAS Number: 36282-40-3
• MDL Number: MFCD00672002
• PubChem SID: 162239613; 24867734
• PubChem CID: 4605969

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: 17.532372 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: 1.4 °F; -17 °C
• Density: 1.013 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: Faceshields, full-face respirator (US), Gloves, Goggles, 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
• Linear Formula: CH3OC6H4MgBr

DETAILS

Sigma Aldrich - 442194

Packaging
100, 800 mL in Sure/Seal™