chloro(2-phenylethyl)magnesium

• ChemBase ID: 146947
• Molecular Formular: C8H9ClMg
• Molecular Mass: 164.91506
• Monoisotopic Mass: 164.02431967
• SMILES: c1ccc(cc1)CC[Mg]Cl
• Canonical SMILES: Cl[Mg]CCc1ccccc1
• InChI: InChI=1S/C8H9.ClH.Mg/c1-2-8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1
• InChIKey: AZORNQXQALOFHH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-phenylethyl)magnesium
• IUPAC Traditional name: chloro(2-phenylethyl)magnesium
• Synonyms: Phenethylmagnesium chloride solution; 苯乙基氯化镁 溶液

Database IDs

• CAS Number: 90878-19-6
• MDL Number: MFCD00192387
• PubChem SID: 162241139; 24866584
• PubChem CID: 4671868

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3087
• LogD (pH = 7.4): 2.3087
• Log P: 2.3087
• Molar Refractivity: 41.2562 cm^3
• Polarizability: 17.758358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.954 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: 11-14/15-19-20/21/22-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: C6H5CH2CH2MgCl

DETAILS

Sigma Aldrich - 424684

Packaging
100, 800 mL in Sure/Seal™