1-{[3-(bromomagnesio)phenyl]methyl}pyrrolidine

• ChemBase ID: 151552
• Molecular Formular: C11H14BrMgN
• Molecular Mass: 264.44456
• Monoisotopic Mass: 263.01600315
• SMILES: c1cc(cc(c1)[Mg]Br)CN1CCCC1
• Canonical SMILES: Br[Mg]c1cccc(c1)CN1CCCC1
• InChI: InChI=1S/C11H14N.BrH.Mg/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;;/h1-2,6-7H,4-5,8-10H2;1H;/q;;+1/p-1
• InChIKey: WPAZFOZFCDTMPB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(bromomagnesio)phenyl]methyl}pyrrolidine
• IUPAC Traditional name: 1-{[3-(bromomagnesio)phenyl]methyl}pyrrolidine
• Synonyms: [3-(1-Pyrrolidinylmethyl)phenyl]magnesium bromide solution; [3-(1-吡咯烷基甲基)苯基]溴化镁 溶液

Database IDs

• CAS Number: 480424-79-1
• MDL Number: MFCD03840892
• PubChem SID: 24880614; 162245705
• PubChem CID: 16217256

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9035291
• LogD (pH = 7.4): 0.90556717
• Log P: 1.9998
• Molar Refractivity: 60.2932 cm^3
• Polarizability: 24.890406 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 0.922 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in THF
• Linear Formula: C6H4CH2NC4H8MgBr

DETAILS

Sigma Aldrich - 571180

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