bromo(dodecyl)magnesium

• ChemBase ID: 140627
• Molecular Formular: C12H25BrMg
• Molecular Mass: 273.5359
• Monoisotopic Mass: 272.0990045
• SMILES: CCCCCCCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCCCCCCC[Mg]Br
• InChI: InChI=1S/C12H25.BrH.Mg/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;1H;/q;;+1/p-1
• InChIKey: JSDNASSZWGNUBO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(dodecyl)magnesium
• IUPAC Traditional name: bromo(dodecyl)magnesium
• Synonyms: Dodecylmagnesium bromide solution; 十二烷基溴化镁 溶液

Database IDs

• CAS Number: 15890-72-9
• MDL Number: MFCD00075165
• PubChem SID: 162234868; 24860654
• PubChem CID: 3662892

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9588
• LogD (pH = 7.4): 4.9588
• Log P: 4.9588
• Molar Refractivity: 65.1691 cm^3
• Polarizability: 27.3443 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -30 °F; -34 °C
• Density: 0.843 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-14-20/21/22-34-40
• Safety Statements: 16-26-33-36/37/39-45
• RID/ADR: UN 2924 3/PG 1

Product Information

• Concentration: 1.0 M in diethyl ether
• Linear Formula: CH3(CH2)11MgBr

DETAILS

Sigma Aldrich - 339628

Packaging
100, 800 mL in Sure/Seal™