bromo(4-methoxy-3,5-dimethylphenyl)magnesium

• ChemBase ID: 151749
• Molecular Formular: C9H11BrMgO
• Molecular Mass: 239.39204
• Monoisotopic Mass: 237.98436867
• SMILES: Cc1cc(cc(c1OC)C)[Mg]Br
• Canonical SMILES: COc1c(C)cc(cc1C)[Mg]Br
• InChI: InChI=1S/C9H11O.BrH.Mg/c1-7-5-4-6-8(2)9(7)10-3;;/h5-6H,1-3H3;1H;/q;;+1/p-1
• InChIKey: KIYSUNNVTFBQIT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-methoxy-3,5-dimethylphenyl)magnesium
• IUPAC Traditional name: bromo(4-methoxy-3,5-dimethylphenyl)magnesium
• Synonyms: 3,5-Dimethyl-4-methoxyphenylmagnesium bromide, 0.5M in 2-MeTHF; 3,5-Dimethyl-4-methoxyphenylmagnesium bromide; 3,5-二甲基-4-甲氧基苯基溴化镁,0.5M 2-MeTHF溶液; 3,5-二甲基-4-甲氧基苯基溴化镁

Database IDs

• CAS Number: 185416-17-5
• MDL Number: MFCD13319917; MFCD01319917
• PubChem SID: 24880130; 162245899
• PubChem CID: 12914311

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.469
• LogD (pH = 7.4): 2.469
• Log P: 2.469
• Molar Refractivity: 50.7551 cm^3
• Polarizability: 21.017105 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C(lit.)
• Flash Point: 1.4 °F; -17 °C
• Density: 0.949 g/mL at 25 °C(lit.)

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
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H314-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P280-P305 + P351 + P338-P310
• 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; 0.5M in 2-MeTHF
• Linear Formula: (CH3)2C6H2OCH3MgBr

DETAILS

Sigma Aldrich - 563781

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