chloro(octyl)magnesium

• ChemBase ID: 149684
• Molecular Formular: C8H17ClMg
• Molecular Mass: 172.97858
• Monoisotopic Mass: 172.08691992
• SMILES: CCCCCCCC[Mg]Cl
• Canonical SMILES: CCCCCCCC[Mg]Cl
• InChI: InChI=1S/C8H17.ClH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1
• InChIKey: DPBWWQDKVQLWFK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(octyl)magnesium
• IUPAC Traditional name: chloro(octyl)magnesium
• Synonyms: Octylmagnesium chloride solution; 辛基氯化镁 溶液

Database IDs

• CAS Number: 38841-98-4
• MDL Number: MFCD00000476
• PubChem SID: 24859451; 162243846
• PubChem CID: 4147387

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.073
• LogD (pH = 7.4): 3.073
• Log P: 3.073
• Molar Refractivity: 44.1662 cm^3
• Polarizability: 19.28771 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.929 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-17-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H314-H335
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2.0 M in THF
• Linear Formula: C8H17MgCl

DETAILS

Sigma Aldrich - 324566

Packaging
100, 800 mL in Sure/Seal™