bromo(3,4,5-trifluorophenyl)magnesium

• ChemBase ID: 95134
• Molecular Formular: C6H2BrF3Mg
• Molecular Mass: 235.2842896
• Monoisotopic Mass: 233.91423842
• SMILES: [Mg](c1cc(c(c(c1)F)F)F)Br
• Canonical SMILES: Br[Mg]c1cc(F)c(c(c1)F)F
• InChI: InChI=1S/C6H2F3.BrH.Mg/c7-4-2-1-3-5(8)6(4)9;;/h2-3H;1H;/q;;+1/p-1
• InChIKey: RHOSOGQLMWAFJM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4,5-trifluorophenyl)magnesium
• IUPAC Traditional name: bromo(3,4,5-trifluorophenyl)magnesium
• Synonyms: 3,4,5-Trifluorophenylmagnesium bromide; 3,4,5-Trifluorophenylmagnesium bromide, 0.50 M in 2-MeTHF; 3,4,5-Trifluorophenylmagnesium bromide solution; 3,4,5-三氟苯基溴化镁, 0.50M 2-MeTHF溶液; 3,4,5-三氟苯基溴化镁 溶液

Database IDs

• CAS Number: 156006-28-9
• MDL Number: MFCD01311471
• PubChem SID: 24879971; 162081784
• PubChem CID: 2778259

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2058
• LogD (pH = 7.4): 2.2058
• Log P: 2.2058
• Molar Refractivity: 34.8587 cm^3
• Polarizability: 14.7087 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: 1.4 °F; -17 °C
• Density: 0.975 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive; Flammable
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37/38
• Safety Statements: 16-26; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H314-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.3 M in THF; 0.50 M in 2-MeTHF
• Linear Formula: F3C6H2MgBr

DETAILS

Sigma Aldrich - 561797

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