chloro(2-methylphenyl)magnesium

• ChemBase ID: 145446
• Molecular Formular: C7H7ClMg
• Molecular Mass: 150.88848
• Monoisotopic Mass: 150.0086696
• SMILES: Cc1ccccc1[Mg]Cl
• Canonical SMILES: Cl[Mg]c1ccccc1C
• InChI: InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1
• InChIKey: DSJSQDNPAOUFOJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-methylphenyl)magnesium
• IUPAC Traditional name: chloro(2-methylphenyl)magnesium
• Synonyms: 2-Methylphenylmagnesium chloride; o-Tolylmagnesium chloride solution; 2-甲基苯基氯化镁; 邻甲苯基氯化镁 溶液

Database IDs

• CAS Number: 33872-80-9
• MDL Number: MFCD00010355
• Beilstein Number: 3537703
• PubChem SID: 24862138; 162239652
• PubChem CID: 118563

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9539
• LogD (pH = 7.4): 1.9539
• Log P: 1.9539
• Molar Refractivity: 36.6518 cm^3
• Polarizability: 15.935538 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -16 °C; 3 °F; 3.2 °F
• Density: 0.956 g/mL at 25 °C; 0.96 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-19-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• 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 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: ~1.0 M in THF; 1.0 M in THF
• Grade: purum
• Linear Formula: CH3C6H4MgCl

DETAILS

Sigma Aldrich - 360023

Packaging
100, 800 mL in Sure/Seal™