chloro(hexyl)magnesium

• ChemBase ID: 142130
• Molecular Formular: C6H13ClMg
• Molecular Mass: 144.92542
• Monoisotopic Mass: 144.0556198
• SMILES: CCCCCC[Mg]Cl
• Canonical SMILES: CCCCCC[Mg]Cl
• InChI: InChI=1S/C6H13.ClH.Mg/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q;;+1/p-1
• InChIKey: ODOOOEXDBNGOOF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(hexyl)magnesium
• IUPAC Traditional name: chloro(hexyl)magnesium
• Synonyms: Hexylmagnesium chloride solution; 1-己基氯化镁 溶液

Database IDs

• CAS Number: 44767-62-6
• MDL Number: MFCD06798087
• PubChem SID: 24883129; 162236361
• PubChem CID: 10877247

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2804
• LogD (pH = 7.4): 2.2804
• Log P: 2.2804
• Molar Refractivity: 34.9642 cm^3
• Polarizability: 15.6082325 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -13 °F; -25 °C
• Density: 0.965 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34
• Safety Statements: 16-26-33-36/37/39-45-7/8
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 2.0 M in THF
• Linear Formula: C6H13MgCl

DETAILS

Sigma Aldrich - 641626

Packaging
100, 800 mL in Sure/Seal™