bromo(3-chloro-4-fluorophenyl)magnesium

• ChemBase ID: 95130
• Molecular Formular: C6H3BrClFMg
• Molecular Mass: 233.7484232
• Monoisotopic Mass: 231.8941097
• SMILES: Clc1c(ccc(c1)[Mg]Br)F
• Canonical SMILES: Br[Mg]c1ccc(c(c1)Cl)F
• InChI: InChI=1S/C6H3ClF.BrH.Mg/c7-5-3-1-2-4-6(5)8;;/h2-4H;1H;/q;;+1/p-1
• InChIKey: XRNCDMQVKMYTAM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 413589-34-1
• MDL Number: MFCD02260212
• PubChem SID: 162081780; 24880120
• PubChem CID: 2778256

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: 16.846949 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; 1.4 °F; -17 °C
• Density: 0.966 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; 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 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., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.50 M in 2-MeTHF
• Empirical Formula (Hill Notation): C6H3BrClFMg

DETAILS

Sigma Aldrich - 563676

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