4-{[2-(bromomagnesio)phenyl]methyl}morpholine

• ChemBase ID: 151550
• Molecular Formular: C11H14BrMgNO
• Molecular Mass: 280.44396
• Monoisotopic Mass: 279.01091777
• SMILES: c1ccc(c(c1)CN1CCOCC1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h1-4H,6-10H2;1H;/q;;+1/p-1
• InChIKey: RSBWIKCTZYDPJQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(bromomagnesio)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[2-(bromomagnesio)phenyl]methyl}morpholine
• Synonyms: [2-(4-Morpholinylmethyl)phenyl]magnesium bromide solution; [2-(4-吗啉甲基)苯基]溴化镁 溶液

Database IDs

• CAS Number: 480424-77-9
• MDL Number: MFCD03840888
• PubChem SID: 24880612; 162245703
• PubChem CID: 16217254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06250123
• LogD (pH = 7.4): 1.2175112
• Log P: 1.3316
• Molar Refractivity: 61.8267 cm^3
• Polarizability: 25.63391 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °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
• Empirical Formula (Hill Notation): C11H14BrMgNO

DETAILS

Sigma Aldrich - 571164

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