benzyl(chloro)magnesium

• ChemBase ID: 147370
• Molecular Formular: C7H7ClMg
• Molecular Mass: 150.88848
• Monoisotopic Mass: 150.0086696
• SMILES: c1ccc(cc1)C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1ccccc1
• InChI: InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1
• InChIKey: NRAFPLGJPPJUNB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(chloro)magnesium
• IUPAC Traditional name: benzyl(chloro)magnesium
• Synonyms: Benzylmagnesium chloride solution; 苄基氯化镁 溶液

Database IDs

• CAS Number: 6921-34-2
• MDL Number: MFCD00000469
• Beilstein Number: 878506
• PubChem SID: 162241558; 24853532; 24858271
• PubChem CID: 2733352

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.057
• LogD (pH = 7.4): 2.057
• Log P: 2.057
• Molar Refractivity: 36.5012 cm^3
• Polarizability: 15.996056 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; 1.4 °F; -17 °C; -40 °C; -40 °F
• Density: 0.79 g/mL at 20 °C; 0.794 g/mL at 25 °C; 0.99 g/mL at 20 °C; 1.031 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 1; 2
• Hazard Class: 3
• Packing Group: 1; 2
• Risk Statements: 11-14-17-19-22-34-67; 11-14-17-19-34-37; 11-14-19-36/37; 12-14-34-66-67
• Safety Statements: 16-26-36/37/39-43.11-45-7/8; 16-26-36/37/39-45; 16-29-33
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H336; 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), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: ~1 M in diethyl ether; ~1.3 M in THF; 1.0 M in diethyl ether; 2.0 M in THF
• Grade: purum; technical
• Linear Formula: C6H5CH2MgCl

DETAILS

Sigma Aldrich - 225916

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 302759

Packaging
100, 800 mL in Sure/Seal™