chloro[(3-methoxyphenyl)methyl]magnesium

• ChemBase ID: 151850
• Molecular Formular: C8H9ClMgO
• Molecular Mass: 180.91446
• Monoisotopic Mass: 180.01923429
• SMILES: COc1cccc(c1)C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1cccc(c1)OC
• InChI: InChI=1S/C8H9O.ClH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
• InChIKey: ZPCUEMLXJGELGI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3-methoxyphenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(3-methoxyphenyl)methyl]magnesium
• Synonyms: 3-Methoxybenzylmagnesium chloride solution; 3-甲氧基苄基氯化镁 溶液

Database IDs

• CAS Number: 26905-40-8
• MDL Number: MFCD01319896
• PubChem SID: 24880005; 162245996
• PubChem CID: 11263864

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8043
• LogD (pH = 7.4): 1.8043
• Log P: 1.8043
• Molar Refractivity: 42.9644 cm^3
• Polarizability: 18.523626 Å^3
• Polar Surface Area: 9.23 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: 0.904 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: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF
• Linear Formula: H3COC6H4CH2MgCl

DETAILS

Sigma Aldrich - 562084

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