cyclopentylmagnesiumylium chloride

• ChemBase ID: 297769
• Molecular Formular: C5H9ClMg
• Molecular Mass: 128.88296
• Monoisotopic Mass: 128.02431967
• SMILES: C1CCC(C1)[Mg+].[Cl-]
• Canonical SMILES: [Mg+]C1CCCC1.[Cl-]
• InChI: InChI=1S/C5H9.ClH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q;;+1/p-1
• InChIKey: GROGEABZCKQTJW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmagnesiumylium chloride
• IUPAC Traditional name: cyclopentylmagnesiumylium chloride
• Synonyms: Cyclopentylmagnesium chloride, 1M in MeTHF; 环戊基氯化镁, 1M MeTHF 溶液

Database IDs

• CAS Number: 32916-51-1
• MDL Number: MFCD00001357
• PubChem SID: 180683300
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4668
• LogD (pH = 7.4): 0.4668
• Log P: 0.4668
• Molar Refractivity: 22.0607 cm^3
• Polarizability: 10.921895 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: 16-26-36/37/39-43-45
• TSCA Listed: 否
• 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