bromo(4-chloro-2-methylphenyl)magnesium

• ChemBase ID: 145080
• Molecular Formular: C7H6BrClMg
• Molecular Mass: 229.78454
• Monoisotopic Mass: 227.91918157
• SMILES: Cc1cc(ccc1[Mg]Br)Cl
• Canonical SMILES: Br[Mg]c1ccc(cc1C)Cl
• InChI: InChI=1S/C7H6Cl.BrH.Mg/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H;/q;;+1/p-1
• InChIKey: JTXWYWFGKJGGNN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-chloro-2-methylphenyl)magnesium
• IUPAC Traditional name: bromo(4-chloro-2-methylphenyl)magnesium
• Synonyms: 4-Chloro-2-methylphenylmagnesium bromide solution; 4-氯-2-甲苯基溴化镁 溶液

Database IDs

• CAS Number: 480438-47-9
• MDL Number: MFCD02260215
• PubChem SID: 24880022; 162239290
• PubChem CID: 16217189

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7725
• LogD (pH = 7.4): 2.7725
• Log P: 2.7725
• Molar Refractivity: 44.0555 cm^3
• Polarizability: 18.680841 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
• Density: 0.959 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• 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 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: ClC6H3(CH3)MgBr

DETAILS

Sigma Aldrich - 562262

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