bromo(pentadecyl)magnesium

• ChemBase ID: 149076
• Molecular Formular: C15H31BrMg
• Molecular Mass: 315.61564
• Monoisotopic Mass: 314.14595469
• SMILES: CCCCCCCCCCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCCCCCCCCCC[Mg]Br
• InChI: InChI=1S/C15H31.BrH.Mg/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h1,3-15H2,2H3;1H;/q;;+1/p-1
• InChIKey: NNIBYWYQYUJVFG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pentadecyl)magnesium
• IUPAC Traditional name: bromo(pentadecyl)magnesium
• Synonyms: Pentadecylmagnesium bromide solution; 十五烷基溴化镁 溶液

Database IDs

• CAS Number: 78887-70-4
• MDL Number: MFCD00209607
• PubChem SID: 24866549; 162243244
• PubChem CID: 4641098

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1477
• LogD (pH = 7.4): 6.1477
• Log P: 6.1477
• Molar Refractivity: 78.9721 cm^3
• Polarizability: 32.844257 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 34.6 °C
• Flash Point: -40 °C; -40 °F
• Density: 0.793 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: 12-14/15-19-22-34-40-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H261-H302-H314-H336
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-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: 0.5 M in diethyl ether
• Linear Formula: CH3(CH2)14MgBr

DETAILS

Sigma Aldrich - 424056

Packaging
50 mL in Sure/Seal™