bromo(2-phenylethynyl)magnesium

• ChemBase ID: 145705
• Molecular Formular: C8H5BrMg
• Molecular Mass: 205.3343
• Monoisotopic Mass: 203.94250386
• SMILES: c1ccc(cc1)C#C[Mg]Br
• Canonical SMILES: Br[Mg]C#Cc1ccccc1
• InChI: InChI=1S/C8H5.BrH.Mg/c1-2-8-6-4-3-5-7-8;;/h3-7H;1H;/q;;+1/p-1
• InChIKey: KELYMAJHHHGLIW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-phenylethynyl)magnesium
• IUPAC Traditional name: bromo(2-phenylethynyl)magnesium
• Synonyms: Phenylethynylmagnesium bromide solution; 溴化苯基乙炔基镁 溶液

Database IDs

• CAS Number: 6738-06-3
• MDL Number: MFCD00134164
• PubChem SID: 162239908; 24861923
• PubChem CID: 5116188

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6069
• LogD (pH = 7.4): 2.6069
• Log P: 2.6069
• Molar Refractivity: 38.3825 cm^3
• Polarizability: 17.515404 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.018 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-17-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314-H335
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P280-P422
• 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: 1.0 M in THF
• Linear Formula: C8H5MgBr

DETAILS

Sigma Aldrich - 357510

Frequently Asked Questions
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Packaging
100 mL in Sure/Seal™