chloro[(3-methylphenyl)methyl]magnesium

• ChemBase ID: 151854
• Molecular Formular: C8H9ClMg
• Molecular Mass: 164.91506
• Monoisotopic Mass: 164.02431967
• SMILES: Cc1cccc(c1)C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1cccc(c1)C
• InChI: InChI=1S/C8H9.ClH.Mg/c1-7-4-3-5-8(2)6-7;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
• InChIKey: IKENQFUQPCLWFT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3-methylphenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(3-methylphenyl)methyl]magnesium
• Synonyms: 3-Methylbenzylmagnesium chloride, 0.25M in 2-MeTHF; 3-Methylbenzylmagnesium chloride solution; 3-甲基苄基氯化镁,0.25M 2-甲基四氢呋喃溶液; 3-甲基苄基氯化镁 溶液

Database IDs

• CAS Number: 29875-06-7
• MDL Number: MFCD01319905
• PubChem SID: 162246000; 24880010
• PubChem CID: 14867646

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5242
• LogD (pH = 7.4): 2.5242
• Log P: 2.5242
• Molar Refractivity: 41.5424 cm^3
• Polarizability: 17.760054 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: <1.4 °F; <-17 °C
• Density: 0.923 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: 0.25M in 2-MeTHF; 0.5 M in THF
• Linear Formula: CH3C6H4CH2MgCl

DETAILS

Sigma Aldrich - 562157

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