bromo(3,4-dimethoxyphenyl)magnesium

• ChemBase ID: 151843
• Molecular Formular: C8H9BrMgO2
• Molecular Mass: 241.36486
• Monoisotopic Mass: 239.96363323
• SMILES: COc1ccc(cc1OC)[Mg]Br
• Canonical SMILES: COc1cc([Mg]Br)ccc1OC
• InChI: InChI=1S/C8H9O2.BrH.Mg/c1-9-7-5-3-4-6-8(7)10-2;;/h3,5-6H,1-2H3;1H;/q;;+1/p-1
• InChIKey: BHTPZWCAIHFRSY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4-dimethoxyphenyl)magnesium
• IUPAC Traditional name: bromo(3,4-dimethoxyphenyl)magnesium
• Synonyms: 3,4-Dimethoxyphenylmagnesium bromide, 0.5M in THF; 3,4-Dimethoxyphenylmagnesium bromide solution; 3,4-二甲氧基苯基溴化镁,0.5M THF溶液; 3,4-二甲氧基苯基溴化镁 溶液

Database IDs

• CAS Number: 89980-69-8
• MDL Number: MFCD01311476
• PubChem SID: 24879993; 162245989
• PubChem CID: 11010104

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2819
• LogD (pH = 7.4): 1.2819
• Log P: 1.2819
• Molar Refractivity: 47.1359 cm^3
• Polarizability: 20.096735 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.960 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37
• Safety Statements: 16-26; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Linear Formula: (CH3O)2C6H3MgBr

DETAILS

Sigma Aldrich - 561975

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.