bromo(octyl)magnesium

• ChemBase ID: 151032
• Molecular Formular: C8H17BrMg
• Molecular Mass: 217.42958
• Monoisotopic Mass: 216.03640424
• SMILES: CCCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCCC[Mg]Br
• InChI: InChI=1S/C8H17.BrH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1
• InChIKey: ZDUZWGUHIRQPGP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(octyl)magnesium
• IUPAC Traditional name: bromo(octyl)magnesium
• Synonyms: Octylmagnesium bromide solution; 辛基溴化镁 溶液

Database IDs

• CAS Number: 17049-49-9
• MDL Number: MFCD00191566
• PubChem SID: 24867293; 162245191
• PubChem CID: 86923

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3736
• LogD (pH = 7.4): 3.3736
• Log P: 3.3736
• Molar Refractivity: 46.7651 cm^3
• Polarizability: 20.038467 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34.6 °C
• Flash Point: -31 °F; -35 °C
• Density: 0.961 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 12-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H250-H260-H302-H314-H336
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2.0 M in diethyl ether
• Linear Formula: CH3(CH2)7MgBr

DETAILS

Sigma Aldrich - 436291

Packaging
100, 800 mL in Sure/Seal™