dibromomagnesium; ethoxyethane

• ChemBase ID: 147148
• Molecular Formular: C4H10Br2MgO
• Molecular Mass: 258.2346
• Monoisotopic Mass: 255.89488064
• SMILES: CCOCC.[Mg](Br)Br
• Canonical SMILES: CCOCC.Br[Mg]Br
• InChI: InChI=1S/C4H10O.2BrH.Mg/c1-3-5-4-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2
• InChIKey: JGZKUKYUQJUUNE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromomagnesium; ethoxyethane
• IUPAC Traditional name: diethyl ether; magnesium bromide
• Synonyms: Magnesium bromide ethyl etherate; 乙醚溴化镁

Database IDs

• CAS Number: 29858-07-9
• MDL Number: MFCD00064500
• Beilstein Number: 4937320
• PubChem SID: 24853534; 162241339
• PubChem CID: 11010650

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83816534
• LogD (pH = 7.4): 0.83816534
• Log P: 0.83816534
• Molar Refractivity: 22.5097 cm^3
• Polarizability: 8.788117 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 35 °C; 95 °F

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-27-28-33-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ≥97.0% (KT); 99%
• Grade: purum
• Linear Formula: MgBr2 · O(C2H5)2

DETAILS

Sigma Aldrich - 225959

Packaging
25, 100 g in glass bottle
Application
Lewis acid for catalysis of Diels-Alder reactions of homochiral 2-sulfinylmaleates with cyclopentadiene.1