bromo(2-ethylhexyl)magnesium

• ChemBase ID: 139584
• Molecular Formular: C8H17BrMg
• Molecular Mass: 217.42958
• Monoisotopic Mass: 216.03640424
• SMILES: CCCCC(CC)C[Mg]Br
• Canonical SMILES: CCCCC(C[Mg]Br)CC
• InChI: InChI=1S/C8H17.BrH.Mg/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: NDCJRLBSQQDNOO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-ethylhexyl)magnesium
• IUPAC Traditional name: bromo(2-ethylhexyl)magnesium
• Synonyms: (2-Ethylhexyl)magnesium bromide solution; (2-乙基己基)溴化镁 溶液

Database IDs

• CAS Number: 90224-21-8
• MDL Number: MFCD02260220
• PubChem SID: 162233832; 24882304
• PubChem CID: 14915511

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3801
• LogD (pH = 7.4): 3.3801
• Log P: 3.3801
• Molar Refractivity: 46.6357 cm^3
• Polarizability: 20.038471 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -13 °F; -25 °C
• Density: 0.863 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-14-19-22-34-67
• Safety Statements: 9-16-26-29-36/37/39-45
• RID/ADR: UN 2924 3/PG 1

Product Information

• Concentration: 1.0 M in diethyl ether
• Empirical Formula (Hill Notation): C8H17BrMg

DETAILS

Sigma Aldrich - 630551

Packaging
100 mL in Sure/Seal™