bromo(3-fluoro-4-methylphenyl)magnesium

• ChemBase ID: 98369
• Molecular Formular: C7H6BrFMg
• Molecular Mass: 213.3299432
• Monoisotopic Mass: 211.94873211
• SMILES: [Mg](c1cc(c(cc1)C)F)Br
• Canonical SMILES: Br[Mg]c1ccc(c(c1)F)C
• InChI: InChI=1S/C7H6F.BrH.Mg/c1-6-4-2-3-5-7(6)8;;/h2,4-5H,1H3;1H;/q;;+1/p-1
• InChIKey: FGTAIRVIEJUZJO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-fluoro-4-methylphenyl)magnesium
• IUPAC Traditional name: bromo(3-fluoro-4-methylphenyl)magnesium
• Synonyms: 3-Fluoro-4-methylphenylmagnesium bromide 0.5M solution in THF; 3-Fluoro-4-methylphenylmagnesium bromide solution; 3-氟-4-甲基苯基溴化镁 溶液

Database IDs

• CAS Number: 185077-02-5
• MDL Number: MFCD01311470
• PubChem SID: 24879966; 162084807
• PubChem CID: 2778411

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.394
• LogD (pH = 7.4): 2.394
• Log P: 2.394
• Molar Refractivity: 39.4671 cm^3
• Polarizability: 16.551579 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; -17°C
• Density: 0.953 g/mL at 25 °C

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Store under Nitrogen
• 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: FC6H3(CH3)MgBr

DETAILS

Sigma Aldrich - 561711

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