bromo(4-fluoro-3-methylphenyl)magnesium

• ChemBase ID: 94343
• Molecular Formular: C7H6BrFMg
• Molecular Mass: 213.3299432
• Monoisotopic Mass: 211.94873211
• SMILES: [Mg](c1cc(c(cc1)F)C)Br
• Canonical SMILES: Br[Mg]c1ccc(c(c1)C)F
• InChI: InChI=1S/C7H6F.BrH.Mg/c1-6-4-2-3-5-7(6)8;;/h3-5H,1H3;1H;/q;;+1/p-1
• InChIKey: OLSGDQISPRACFY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-fluoro-3-methylphenyl)magnesium
• IUPAC Traditional name: bromo(4-fluoro-3-methylphenyl)magnesium
• Synonyms: 4-Fluoro-3-methylphenylmagnesium bromide solution; 4-Fluoro-3-methylphenylmagnesium bromide 0.5M solution in THF; 4-氟-3-甲基苯基溴化镁 溶液

Database IDs

• CAS Number: 82297-89-0
• MDL Number: MFCD00075303
• PubChem SID: 24861265; 162080997
• PubChem CID: 2778169

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.394
• LogD (pH = 7.4): 2.394
• Log P: 2.394
• Molar Refractivity: 39.4671 cm^3
• Polarizability: 16.550577 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °F; -26 °C
• Density: 1.001 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-20/21/22-34
• Safety Statements: 16-26-27-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: FC6H3(CH3)MgBr

DETAILS

Sigma Aldrich - 344605

Packaging
50 mL in Sure/Seal™