bromo(4-methylnaphthalen-1-yl)magnesium

• ChemBase ID: 151802
• Molecular Formular: C11H9BrMg
• Molecular Mass: 245.39816
• Monoisotopic Mass: 243.97380399
• SMILES: Cc1ccc(c2c1cccc2)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(c2c1cccc2)C
• InChI: InChI=1S/C11H9.BrH.Mg/c1-9-5-4-7-10-6-2-3-8-11(9)10;;/h2-6,8H,1H3;1H;/q;;+1/p-1
• InChIKey: PQFCMZXZQYKHIY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-methylnaphthalen-1-yl)magnesium
• IUPAC Traditional name: bromo(4-methylnaphthalen-1-yl)magnesium
• Synonyms: 4-Methyl-1-naphthylmagnesium bromide; 4-甲基-1-萘基溴化镁

Database IDs

• CAS Number: 115913-58-1
• MDL Number: MFCD01311487
• PubChem SID: 162245948; 24880121
• PubChem CID: 13487699

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2567
• LogD (pH = 7.4): 3.2567
• Log P: 3.2567
• Molar Refractivity: 55.7009 cm^3
• Polarizability: 24.085535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C(lit.)
• Density: 0.923 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 12-14-19-22-34-40
• Safety Statements: 16-23-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF
• Linear Formula: C10H6CH3MgBr

DETAILS

Sigma Aldrich - 563684

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