bromo(4-chloro-3-fluorophenyl)magnesium

• ChemBase ID: 96803
• Molecular Formular: C6H3BrClFMg
• Molecular Mass: 233.7484232
• Monoisotopic Mass: 231.8941097
• SMILES: Fc1c(ccc(c1)[Mg]Br)Cl
• Canonical SMILES: Br[Mg]c1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H3ClF.BrH.Mg/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: JVKNCECRGPRLKQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-chloro-3-fluorophenyl)magnesium
• IUPAC Traditional name: bromo(4-chloro-3-fluorophenyl)magnesium
• Synonyms: 4-Chloro-3-fluorophenylmagnesium bromide solution; 4-Chloro-3-fluorophenylmagnesium bromide 0.5M solution in THF; 4-Chloro-3-fluorophenylmagnesium bromide, 0.50 M in 2-MeTHF; 4-氯-3-氟苯基溴化镁 溶液; 4-氯3-氟苯基溴化镁, 0.5M 2-MeTHF溶液

Database IDs

• CAS Number: 170793-00-7
• MDL Number: MFCD02260213
• PubChem SID: 24880021; 162083449
• PubChem CID: 2778270

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: 16.854048 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; 65°C
• Flash Point: 1 °F; -17 °C; -17°C
• Density: 0.968; 0.968 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive; Highly Flammable/Corrosive/Harmful/Moisture Sensitive/Keep Cold/Store under Argon
• 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; 8-16-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• 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 - 562254

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