chloro(2-ethylbutyl)magnesium

• ChemBase ID: 143423
• Molecular Formular: C6H13ClMg
• Molecular Mass: 144.92542
• Monoisotopic Mass: 144.0556198
• SMILES: CCC(CC)C[Mg]Cl
• Canonical SMILES: CCC(C[Mg]Cl)CC
• InChI: InChI=1S/C6H13.ClH.Mg/c1-4-6(3)5-2;;/h6H,3-5H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: CWQYIAZHZCXNKC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-ethylbutyl)magnesium
• IUPAC Traditional name: chloro(2-ethylbutyl)magnesium
• Synonyms: 2-Ethylbutylmagnesium chloride solution

Database IDs

• MDL Number: MFCD17171290
• PubChem SID: 162237643
• PubChem CID: 13972029

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2869
• LogD (pH = 7.4): 2.2869
• Log P: 2.2869
• Molar Refractivity: 34.8348 cm^3
• Polarizability: 15.608251 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.839 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• Risk Statements: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H302-H314-H336
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2 M in diethyl ether
• Empirical Formula (Hill Notation): C6H13ClMg

DETAILS

Sigma Aldrich - 732761

Packaging
50 mL in Sure/Seal™