benzylmagnesiumylium chloride

• ChemBase ID: 297763
• Molecular Formular: C7H7ClMg
• Molecular Mass: 150.88848
• Monoisotopic Mass: 150.0086696
• SMILES: c1ccc(cc1)C[Mg+].[Cl-]
• Canonical SMILES: [Mg+]Cc1ccccc1.[Cl-]
• 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: benzylmagnesiumylium chloride
• IUPAC Traditional name: benzylmagnesiumylium chloride
• Synonyms: Benzylmagnesium chloride, 1-2M in THF; Benzylmagnesium chloride, 1M in MeTHF; 苄基氯化镁, 1-2M THF溶液; 苄基基氯化镁, 1M MeTHF 溶液

Database IDs

• CAS Number: 6921-34-2
• MDL Number: MFCD00000469
• PubChem SID: 180683294
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1621
• LogD (pH = 7.4): 1.1621
• Log P: 1.1621
• Molar Refractivity: 30.2109 cm^3
• Polarizability: 13.908872 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-14-19-34
• Safety Statements: 8-16-26-36/37/39-43-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Hazard statements: H225-H314; H225-H314-H351-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 1-2M in THF; 1M in MeTHF