chloro[(3,5-dimethoxyphenyl)methyl]magnesium

• ChemBase ID: 151756
• Molecular Formular: C9H11ClMgO2
• Molecular Mass: 210.94044
• Monoisotopic Mass: 210.02979897
• SMILES: COc1cc(cc(c1)OC)C[Mg]Cl
• Canonical SMILES: COc1cc(C[Mg]Cl)cc(c1)OC
• InChI: InChI=1S/C9H11O2.ClH.Mg/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4-6H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: MWCLIEUIOGDYHD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3,5-dimethoxyphenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(3,5-dimethoxyphenyl)methyl]magnesium
• Synonyms: 3,5-Dimethoxybenzylmagnesium chloride solution; 3,5-二甲氧苄基氯化镁 溶液

Database IDs

• CAS Number: 135808-66-1
• MDL Number: MFCD02260202
• PubChem SID: 162245906; 24880133
• PubChem CID: 12878384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5516
• LogD (pH = 7.4): 1.5516
• Log P: 1.5516
• Molar Refractivity: 49.4276 cm^3
• Polarizability: 21.062262 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.913 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37/38
• Safety Statements: 16-26
• 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
• 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: 0.2 M in THF
• Linear Formula: C6H3(OCH3)2CH2MgCl

DETAILS

Sigma Aldrich - 563811

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