cyclohexylmagnesiumylium chloride

• ChemBase ID: 297768
• Molecular Formular: C6H11ClMg
• Molecular Mass: 142.90954
• Monoisotopic Mass: 142.03996973
• SMILES: C1CCC(CC1)[Mg+].[Cl-]
• Canonical SMILES: [Mg+]C1CCCCC1.[Cl-]
• InChI: InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1
• InChIKey: WMJMABVHDMRMJA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylmagnesiumylium chloride
• IUPAC Traditional name: cyclohexylmagnesiumylium chloride
• Synonyms: Cyclohexylmagnesium chloride, 1M in MeTHF; 环己基氯化镁, 1M MeTHF 溶液

Database IDs

• CAS Number: 931-51-1
• MDL Number: MFCD00003816
• PubChem SID: 180683299
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8631
• LogD (pH = 7.4): 0.8631
• Log P: 0.8631
• Molar Refractivity: 26.6617 cm^3
• Polarizability: 12.766763 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

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
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 1M in MeTHF