bromo(2-methoxyphenyl)magnesium

• ChemBase ID: 139688
• Molecular Formular: C7H7BrMgO
• Molecular Mass: 211.33888
• Monoisotopic Mass: 209.95306854
• SMILES: COc1ccccc1[Mg]Br
• Canonical SMILES: Br[Mg]c1ccccc1OC
• InChI: InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1
• InChIKey: BJJFGIPCBFILPB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methoxyphenyl)magnesium
• IUPAC Traditional name: bromo(2-methoxyphenyl)magnesium
• Synonyms: 2-Methoxyphenylmagnesium bromide solution; 2-甲氧苯基溴化镁 溶液

Database IDs

• CAS Number: 16750-63-3
• MDL Number: MFCD01317003
• PubChem SID: 162233936; 24884587; 24870659
• PubChem CID: 4280988

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: 17.533123 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; -20 °C; -4 °F
• Density: 0.791 g/mL at 25 °C; 1.011 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2
• Risk Statements: 11-19-36/37; 12-14-19-22-34-66-67
• Safety Statements: 16-26; 16-26-33-36/37/39-43.11-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 1.0 M in diethyl ether; 1.0 M in THF
• Linear Formula: CH3OC6H4MgBr

DETAILS

Sigma Aldrich - 662453

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

Sigma Aldrich - 470414

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