bromo(4-fluorophenyl)magnesium

• ChemBase ID: 98744
• Molecular Formular: C6H4BrFMg
• Molecular Mass: 199.3033632
• Monoisotopic Mass: 197.93308205
• SMILES: Fc1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)F
• InChI: InChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
• InChIKey: QYBFFRXNNFXREA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-fluorophenyl)magnesium
• IUPAC Traditional name: bromo(4-fluorophenyl)magnesium
• Synonyms: 4-Fluorophenylmagnesium bromide, 2M in diethyl ether; 4-Fluorophenylmagnesium bromide solution; 4-氟苯基溴化镁 溶液

Database IDs

• CAS Number: 352-13-6
• MDL Number: MFCD00009667
• Beilstein Number: 636802
• PubChem SID: 24854740; 162085116; 24859751
• PubChem CID: 2734897

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9268
• LogD (pH = 7.4): 1.9268
• Log P: 1.9268
• Molar Refractivity: 34.4259 cm^3
• Polarizability: 14.826846 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20 °C; -4 °F; -40 °F; -40°C
• Density: 1.021 g/mL at 25 °C; 1.04; 1.043 g/mL at 25 °C

Safety Information

• Storage Warning: Extremely Flammable/Corrosive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2
• Risk Statements: 11-14-19-22-34-67; 11-14-19-34-37; 14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H336; H225-H314-H335; H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF; 2.0 M in diethyl ether
• Linear Formula: FC6H4MgBr

DETAILS

Sigma Aldrich - 245550

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 328820

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 256994

Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.