bromo(decyl)magnesium

• ChemBase ID: 150812
• Molecular Formular: C10H21BrMg
• Molecular Mass: 245.48274
• Monoisotopic Mass: 244.06770437
• SMILES: CCCCCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCCCCC[Mg]Br
• InChI: InChI=1S/C10H21.BrH.Mg/c1-3-5-7-9-10-8-6-4-2;;/h1,3-10H2,2H3;1H;/q;;+1/p-1
• InChIKey: UPTQKRMNWABXMZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(decyl)magnesium
• IUPAC Traditional name: bromo(decyl)magnesium
• Synonyms: Decylmagnesium bromide solution; 癸基溴化镁 溶液

Database IDs

• CAS Number: 17049-50-2
• MDL Number: MFCD00013516
• PubChem SID: 162244972; 24861466
• PubChem CID: 4076984

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1662
• LogD (pH = 7.4): 4.1662
• Log P: 4.1662
• Molar Refractivity: 55.9671 cm^3
• Polarizability: 23.686237 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.846 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 11-14-17-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H302-H314-H336
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P280-P422
• 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)9MgBr

DETAILS

Sigma Aldrich - 347108

Packaging
100, 800 mL in Sure/Seal™