bromo(3,4-dichlorophenyl)magnesium

• ChemBase ID: 145081
• Molecular Formular: C6H3BrCl2Mg
• Molecular Mass: 250.20302
• Monoisotopic Mass: 247.86455916
• SMILES: c1cc(c(cc1[Mg]Br)Cl)Cl
• Canonical SMILES: Br[Mg]c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H3Cl2.BrH.Mg/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: IRROSODEQHIZEV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4-dichlorophenyl)magnesium
• IUPAC Traditional name: bromo(3,4-dichlorophenyl)magnesium
• Synonyms: 3,4-Dichlorophenylmagnesium bromide solution; 3,4-二氯苯溴化镁 溶液

Database IDs

• CAS Number: 79175-35-2
• MDL Number: MFCD01319891
• PubChem SID: 162239291; 24880023
• PubChem CID: 11043147

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8233
• LogD (pH = 7.4): 2.8233
• Log P: 2.8233
• Molar Refractivity: 43.8191 cm^3
• Polarizability: 18.959957 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.980 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: Cl2C6H3MgBr

DETAILS

Sigma Aldrich - 562270

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