bromo(3,4,5-trimethoxyphenyl)magnesium

• ChemBase ID: 140915
• Molecular Formular: C9H11BrMgO3
• Molecular Mass: 271.39084
• Monoisotopic Mass: 269.97419791
• SMILES: COc1cc(cc(c1OC)OC)[Mg]Br
• Canonical SMILES: COc1cc([Mg]Br)cc(c1OC)OC
• InChI: InChI=1S/C9H11O3.BrH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q;;+1/p-1
• InChIKey: YWBLTWDGWZPYLJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4,5-trimethoxyphenyl)magnesium
• IUPAC Traditional name: bromo(3,4,5-trimethoxyphenyl)magnesium
• Synonyms: 3,4,5-Trimethoxyphenylmagnesium bromide solution; 3,4,5-三甲氧基苯基溴化镁

Database IDs

• CAS Number: 133095-91-7
• MDL Number: MFCD08064087
• PubChem SID: 162235153; 24885606
• PubChem CID: 11140221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0292
• LogD (pH = 7.4): 1.0292
• Log P: 1.0292
• Molar Refractivity: 53.5991 cm^3
• Polarizability: 22.661951 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: <-20 °C; <-4 °F
• Density: 0.979 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
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-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.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3O)3C6H2MgBr

DETAILS

Sigma Aldrich - 680974

Other Notes
Storage below 25 degrees C may cause the formation of crystalline magnesium salts. Moving the container to a warm location and occasional gentle swirling should redissolve the solid.
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.