bromo(phenanthren-9-yl)magnesium

• ChemBase ID: 151807
• Molecular Formular: C14H9BrMg
• Molecular Mass: 281.43026
• Monoisotopic Mass: 279.97380399
• SMILES: c1ccc2c(c1)cc(c1c2cccc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1cc2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H9.BrH.Mg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1-9H;1H;/q;;+1/p-1
• InChIKey: ACMUZKQPXSHTGB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(phenanthren-9-yl)magnesium
• IUPAC Traditional name: bromo(phenanthren-9-yl)magnesium
• Synonyms: 9-Phenanthrylmagnesium bromide; 9-菲基溴化镁

Database IDs

• CAS Number: 71112-64-6
• MDL Number: MFCD00672008
• PubChem SID: 162245953; 24880126
• PubChem CID: 12396678

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7917
• LogD (pH = 7.4): 3.7917
• Log P: 3.7917
• Molar Refractivity: 67.1099 cm^3
• Polarizability: 29.817575 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C(lit.)
• Flash Point: <1.4 °F; <-17 °C
• Density: 0.970 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: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: 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
• Empirical Formula (Hill Notation): C14H9BrMg

DETAILS

Sigma Aldrich - 563749

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