bromo(heptyl)magnesium

• ChemBase ID: 151354
• Molecular Formular: C7H15BrMg
• Molecular Mass: 203.403
• Monoisotopic Mass: 202.02075418
• SMILES: CCCCCCC[Mg]Br
• Canonical SMILES: CCCCCCC[Mg]Br
• InChI: InChI=1S/C7H15.BrH.Mg/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q;;+1/p-1
• InChIKey: LDKGBIJDNGSVIH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(heptyl)magnesium
• IUPAC Traditional name: bromo(heptyl)magnesium
• Synonyms: Heptylmagnesium bromide solution; 正庚基溴化镁 溶液

Database IDs

• CAS Number: 13125-66-1
• MDL Number: MFCD00013517
• PubChem SID: 24879134; 162245508
• PubChem CID: 10910616

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9773
• LogD (pH = 7.4): 2.9773
• Log P: 2.9773
• Molar Refractivity: 42.1641 cm^3
• Polarizability: 18.219927 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35 °C
• Flash Point: -22 °F; -30 °C
• Density: 0.841 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-19-22-66-67
• Safety Statements: 16
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H336
• GHS Precautionary statements: P210-P261
• RID/ADR: UN 2924 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Product Information

• Concentration: 1.0 M in diethyl ether
• Linear Formula: CH3(CH2)6MgBr

DETAILS

Sigma Aldrich - 550655

Packaging
100 mL in Sure/Seal™