bromo(5-fluoro-2-methoxyphenyl)magnesium

• ChemBase ID: 100898
• Molecular Formular: C7H6BrFMgO
• Molecular Mass: 229.3293432
• Monoisotopic Mass: 227.94364673
• SMILES: [Mg](c1c(ccc(c1)F)OC)Br
• Canonical SMILES: Br[Mg]c1cc(F)ccc1OC
• InChI: InChI=1S/C7H6FO.BrH.Mg/c1-9-7-4-2-6(8)3-5-7;;/h2-4H,1H3;1H;/q;;+1/p-1
• InChIKey: ZYVBZHZWABCRCW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(5-fluoro-2-methoxyphenyl)magnesium
• IUPAC Traditional name: bromo(5-fluoro-2-methoxyphenyl)magnesium
• Synonyms: 5-Fluoro-2-methoxyphenylmagnesium bromide 0.5M solution in THF; 3-Fluoro-6-methoxyphenylmagnesium bromide solution; 5-Fluoro-2-methoxyphenylmagnesium bromide solution; 3-氟-6-甲氧苯基溴化镁 溶液; 5-氟-2-甲氧苯基溴化镁 溶液

Database IDs

• CAS Number: 188132-02-7
• MDL Number: MFCD01311481
• PubChem SID: 24879995; 162086662
• PubChem CID: 2778879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6741
• LogD (pH = 7.4): 1.6741
• Log P: 1.6741
• Molar Refractivity: 40.8891 cm^3
• Polarizability: 17.391836 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.948 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• 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
• Linear Formula: FC6H3(OCH3)MgBr

DETAILS

Sigma Aldrich - 561983

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