bromo(pentafluorophenyl)magnesium

• ChemBase ID: 150512
• Molecular Formular: C6BrF5Mg
• Molecular Mass: 271.265216
• Monoisotopic Mass: 269.8953948
• SMILES: c1(c(c(c(c(c1F)F)[Mg]Br)F)F)F
• Canonical SMILES: Br[Mg]c1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C6F5.BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;/h;1H;/q;;+1/p-1
• InChIKey: AXQVMJIDNDRSFM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pentafluorophenyl)magnesium
• IUPAC Traditional name: bromo(pentafluorophenyl)magnesium
• Synonyms: Pentafluorophenylmagnesium bromide solution; 五氟苯基溴化镁 溶液

Database IDs

• CAS Number: 879-05-0
• MDL Number: MFCD00015720
• Beilstein Number: 3611565
• PubChem SID: 162244673; 24867918
• PubChem CID: 3319152

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4848
• LogD (pH = 7.4): 2.4848
• Log P: 2.4848
• Molar Refractivity: 35.2915 cm^3
• Polarizability: 14.75299 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34.6 °C
• Flash Point: -40 °C; -40 °F
• Density: 0.861 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2924 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in diethyl ether
• Linear Formula: C6F5MgBr

DETAILS

Sigma Aldrich - 442585

Packaging
100 mL in Sure/Seal™
Application
Employed in the synthesis of novel arsonic and arsinic acids as ligands for potential transition-metal ion extractants,1 and in the synthesis of polyfluoroaryl alkyl sulfides.2