chloro[(2-methoxyphenyl)methyl]magnesium

• ChemBase ID: 151851
• Molecular Formular: C8H9ClMgO
• Molecular Mass: 180.91446
• Monoisotopic Mass: 180.01923429
• SMILES: COc1ccccc1C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1ccccc1OC
• InChI: InChI=1S/C8H9O.ClH.Mg/c1-7-5-3-4-6-8(7)9-2;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
• InChIKey: JJNLSBBAAQTDSM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2-methoxyphenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(2-methoxyphenyl)methyl]magnesium
• Synonyms: 2-Methoxybenzylmagnesium chloride solution; 2-Methoxybenzylmagnesium chloride, 0.25M in 2-MeTHF; 2-甲氧基苄基氯化镁 溶液; 2-甲氧基苯基氯化镁,0.25M 2-甲基四氢呋喃溶液

Database IDs

• CAS Number: 480438-46-8
• MDL Number: MFCD01319897
• PubChem SID: 162245997; 24880006
• PubChem CID: 13004954

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: 18.52357 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: 0 °F; -18 °C
• Density: 0.910 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-22-34; 11-14-19-34
• Safety Statements: 16-26-33-36/37/39-45; 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H318-H315-H313
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF; 0.25M in 2-MeTHF
• Linear Formula: CH3OC6H4CH2MgCl

DETAILS

Sigma Aldrich - 562092

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