bromo(nonyl)magnesium

• ChemBase ID: 151138
• Molecular Formular: C9H19BrMg
• Molecular Mass: 231.45616
• Monoisotopic Mass: 230.05205431
• SMILES: CCCCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCCCC[Mg]Br
• InChI: InChI=1S/C9H19.BrH.Mg/c1-3-5-7-9-8-6-4-2;;/h1,3-9H2,2H3;1H;/q;;+1/p-1
• InChIKey: IFQPKTPQJLAZHQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(nonyl)magnesium
• IUPAC Traditional name: bromo(nonyl)magnesium
• Synonyms: Nonylmagnesium bromide solution; 壬基溴化镁 溶液

Database IDs

• CAS Number: 39691-62-8
• MDL Number: MFCD03094048
• PubChem SID: 24879135; 162245296
• PubChem CID: 11042600

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7699
• LogD (pH = 7.4): 3.7699
• Log P: 3.7699
• Molar Refractivity: 51.3661 cm^3
• Polarizability: 21.860807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35 °C
• Flash Point: -22 °F; -30 °C
• Density: 0.849 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: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2924 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in diethyl ether
• Linear Formula: CH3(CH2)8MgBr

DETAILS

Sigma Aldrich - 550663

Packaging
100 mL in Sure/Seal™