bromo(4-propylphenyl)magnesium

• ChemBase ID: 151806
• Molecular Formular: C9H11BrMg
• Molecular Mass: 223.39264
• Monoisotopic Mass: 221.98945405
• SMILES: CCCc1ccc(cc1)[Mg]Br
• Canonical SMILES: CCCc1ccc(cc1)[Mg]Br
• InChI: InChI=1S/C9H11.BrH.Mg/c1-2-6-9-7-4-3-5-8-9;;/h4-5,7-8H,2,6H2,1H3;1H;/q;;+1/p-1
• InChIKey: HFPDWJMICZDKNO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-propylphenyl)magnesium
• IUPAC Traditional name: bromo(4-propylphenyl)magnesium
• Synonyms: 4-n-Propylphenylmagnesium bromide solution; 4-正丙基苯基溴化镁 溶液

Database IDs

• CAS Number: 87942-08-3
• MDL Number: MFCD01311466
• PubChem SID: 162245952; 24880125
• PubChem CID: 15268794

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0471
• LogD (pH = 7.4): 3.0471
• Log P: 3.0471
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.350363 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C(lit.)
• Flash Point: 1.4 °F; -17 °C
• Density: 0.940 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6H4CH2CH2CH3MgBr

DETAILS

Sigma Aldrich - 563730

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.