bromo(2-methylphenyl)magnesium

• ChemBase ID: 150649
• Molecular Formular: C7H7BrMg
• Molecular Mass: 195.33948
• Monoisotopic Mass: 193.95815392
• SMILES: Cc1ccccc1[Mg]Br
• Canonical SMILES: Br[Mg]c1ccccc1C
• InChI: InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1
• InChIKey: DVXDIGKNJYSMFM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methylphenyl)magnesium
• IUPAC Traditional name: bromo(2-methylphenyl)magnesium
• Synonyms: o-Tolylmagnesium bromide solution; 邻甲苯基溴化镁 溶液

Database IDs

• CAS Number: 932-31-0
• MDL Number: MFCD00010350
• PubChem SID: 24858005; 162244810
• PubChem CID: 101919

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2545
• LogD (pH = 7.4): 2.2545
• Log P: 2.2545
• Molar Refractivity: 39.2507 cm^3
• Polarizability: 16.710978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 1.013 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2.0 M in diethyl ether
• Linear Formula: CH3C6H4MgBr

DETAILS

Sigma Aldrich - 298980

Packaging
100, 800 mL in Sure/Seal™