4-{[3-(bromomagnesio)phenyl]methyl}morpholine

• ChemBase ID: 151549
• Molecular Formular: C11H14BrMgNO
• Molecular Mass: 280.44396
• Monoisotopic Mass: 279.01091777
• SMILES: c1cc(cc(c1)[Mg]Br)CN1CCOCC1
• Canonical SMILES: Br[Mg]c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C11H14NO.BrH.Mg/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h1-2,4-5H,6-10H2;1H;/q;;+1/p-1
• InChIKey: UAYUGBXOBYFKNG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(bromomagnesio)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[3-(bromomagnesio)phenyl]methyl}morpholine
• Synonyms: [3-(4-Morpholinylmethyl)phenyl]magnesium bromide solution; [3-(4-吗啉甲基)苯基]溴化镁 溶液

Database IDs

• CAS Number: 480424-76-8
• MDL Number: MFCD03840889
• PubChem SID: 162245702; 24880611
• PubChem CID: 16217253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5681825
• LogD (pH = 7.4): 1.3061017
• Log P: 1.3316
• Molar Refractivity: 61.8267 cm^3
• Polarizability: 25.633604 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(lit.)
• Flash Point: 1.4 °F; -17 °C
• Density: 0.926 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37/38
• Safety Statements: 16-26
• 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: 0.25 M in THF
• Linear Formula: C6H4CH2NOC4H8MgBr

DETAILS

Sigma Aldrich - 571156

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