bromo(4-methylphenyl)magnesium

• ChemBase ID: 142272
• Molecular Formular: C7H7BrMg
• Molecular Mass: 195.33948
• Monoisotopic Mass: 193.95815392
• SMILES: Cc1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)C
• InChI: InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1
• InChIKey: ZRJNGFJIBZKXTP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-methylphenyl)magnesium
• IUPAC Traditional name: bromo(4-methylphenyl)magnesium
• Synonyms: 4-Methylphenylmagnesium bromide; p-Tolylmagnesium bromide solution; 4-甲基苯基溴化镁; 对甲苯基溴化镁 溶液

Database IDs

• CAS Number: 4294-57-9
• MDL Number: MFCD00000040
• Beilstein Number: 636491
• PubChem SID: 162236502; 24867733; 24883432
• PubChem CID: 3644322

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: 16.712097 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: 1.4 °F; -17 °C; -40 °C; -40 °F
• Density: 1.002 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2
• Risk Statements: 11-14-19-34-37; 12-14-19-22-34-66-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H314-H336; H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.; May form explosive peroxides., Reacts violently with water., Repeated exposure may cause skin dryness or cracking.

Product Information

• Concentration: 0.5 M in diethyl ether; 1.0 M in THF
• Linear Formula: CH3C6H4MgBr

DETAILS

Sigma Aldrich - 646075

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 442178

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™