2-[2-(bromomagnesio)ethyl]-1,3-dioxane

• ChemBase ID: 151906
• Molecular Formular: C6H11BrMgO2
• Molecular Mass: 219.35934
• Monoisotopic Mass: 217.97928329
• SMILES: C1COC(OC1)CC[Mg]Br
• Canonical SMILES: Br[Mg]CCC1OCCCO1
• InChI: InChI=1S/C6H11O2.BrH.Mg/c1-2-6-7-4-3-5-8-6;;/h6H,1-5H2;1H;/q;;+1/p-1
• InChIKey: JYNXRXBIEHSSLR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(bromomagnesio)ethyl]-1,3-dioxane
• IUPAC Traditional name: 2-[2-(bromomagnesio)ethyl]-1,3-dioxane
• Synonyms: (1,3-Dioxan-2-ylethyl)magnesium bromide solution; (1,3-二氧六环-2-乙基)溴化镁 溶液

Database IDs

• CAS Number: 480438-44-6
• MDL Number: MFCD00061518
• PubChem SID: 162246052; 24879959
• PubChem CID: 11031353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7054
• LogD (pH = 7.4): 0.7054
• Log P: 0.7054
• Molar Refractivity: 38.6603 cm^3
• Polarizability: 17.273634 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: <1.4 °F; <-17 °C
• Density: 0.951 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 19-36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C6H11BrMgO2

DETAILS

Sigma Aldrich - 561657

Application
Used in a Grignard addition-acylation method for the preparation enamides.1
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.