bromo(3-chloro-5-fluorophenyl)magnesium

• ChemBase ID: 99146
• Molecular Formular: C6H3BrClFMg
• Molecular Mass: 233.7484232
• Monoisotopic Mass: 231.8941097
• SMILES: Clc1cc(cc(c1)[Mg]Br)F
• Canonical SMILES: Br[Mg]c1cc(F)cc(c1)Cl
• InChI: InChI=1S/C6H3ClF.BrH.Mg/c7-5-2-1-3-6(8)4-5;;/h2-4H;1H;/q;;+1/p-1
• InChIKey: IKMSSONTWSEQMT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-chloro-5-fluorophenyl)magnesium
• IUPAC Traditional name: bromo(3-chloro-5-fluorophenyl)magnesium
• Synonyms: 3-Chloro-5-fluorophenylmagnesium bromide 0.5M solution in THF; 3-Chloro-5-fluorophenylmagnesium bromide solution; 3-Chloro-5-fluorophenylmagnesium bromide, 0.50 M in 2-MeTHF; 3-氯-5-氟苯基溴化镁 溶液; 3-氯-5-氟苯溴化镁, 0.50M 2-MeTHF溶液

Database IDs

• CAS Number: 480438-50-4
• MDL Number: MFCD02260214
• PubChem SID: 24880096; 162085438
• PubChem CID: 2778633

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4448
• LogD (pH = 7.4): 2.4448
• Log P: 2.4448
• Molar Refractivity: 39.2307 cm^3
• Polarizability: 16.827246 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
• Flash Point: 1 °F; -17 °C
• Density: 0.968 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive; Flammable
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-22-34; 11-14-19-34
• Safety Statements: 16-26-33-36/37/39-45; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H314-H318-EUH014
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.50 M in 2-MeTHF
• Linear Formula: ClC6H3(F)MgBr

DETAILS

Sigma Aldrich - 563390

Packaging
50 mL in Sure/Seal™