2-[4-(bromomagnesio)phenoxy]oxane

• ChemBase ID: 151860
• Molecular Formular: C11H13BrMgO2
• Molecular Mass: 281.42872
• Monoisotopic Mass: 279.99493336
• SMILES: c1cc(ccc1OC1CCCCO1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)OC1CCCCO1
• InChI: InChI=1S/C11H13O2.BrH.Mg/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h2-3,6-7,11H,4-5,8-9H2;1H;/q;;+1/p-1
• InChIKey: OHPUQUBYKZJOLY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(bromomagnesio)phenoxy]oxane
• IUPAC Traditional name: 2-[4-(bromomagnesio)phenoxy]oxane
• Synonyms: 4-(2-Tetrahydro-2H-pyranoxy)phenylmagnesium bromide solution; 4-(2-Tetrahydropyranyloxy)phenylmagnesium bromide, 0.5M in 2-MeTHF; 4-(2-四氢-2H-吡喃氧代)苯基溴化镁 溶液; 4-(2-四氢吡喃基氧)苯基溴化镁, 0.5M 2-甲基四氢呋喃溶液

Database IDs

• CAS Number: 36637-44-2
• MDL Number: MFCD03427254
• PubChem SID: 162246006; 24880020
• PubChem CID: 14519569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2297
• LogD (pH = 7.4): 2.2297
• Log P: 2.2297
• Molar Refractivity: 58.7062 cm^3
• Polarizability: 24.846611 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: <1.4 °F; <-17 °C
• Density: 0.961 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37
• Safety Statements: 16-26; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in 2-MeTHF
• Empirical Formula (Hill Notation): C11H13BrMgO2

DETAILS

Sigma Aldrich - 562246

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