bromo(2-methylnaphthalen-1-yl)magnesium

• ChemBase ID: 151803
• Molecular Formular: C11H9BrMg
• Molecular Mass: 245.39816
• Monoisotopic Mass: 243.97380399
• SMILES: Cc1ccc2ccccc2c1[Mg]Br
• Canonical SMILES: Br[Mg]c1c(C)ccc2c1cccc2
• InChI: InChI=1S/C11H9.BrH.Mg/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-7H,1H3;1H;/q;;+1/p-1
• InChIKey: FRKJGFAPMOHVAM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methylnaphthalen-1-yl)magnesium
• IUPAC Traditional name: bromo(2-methylnaphthalen-1-yl)magnesium
• Synonyms: 2-Methyl-1-naphthylmagnesium bromide; 2-甲基-1-萘基溴化镁

Database IDs

• CAS Number: 21450-90-8
• MDL Number: MFCD01311486
• PubChem SID: 162245949; 24880122
• PubChem CID: 11791449

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: 24.084183 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.)
• Flash Point: 1 °F; -17 °C
• Density: 0.921 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-22-34
• Safety Statements: 16-26-33-36/37/39-45
• 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 - 563692

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