chloro(octadecyl)magnesium

• ChemBase ID: 147824
• Molecular Formular: C18H37ClMg
• Molecular Mass: 313.24438
• Monoisotopic Mass: 312.24342056
• SMILES: CCCCCCCCCCCCCCCCCC[Mg]Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Mg]Cl
• InChI: InChI=1S/C18H37.ClH.Mg/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h1,3-18H2,2H3;1H;/q;;+1/p-1
• InChIKey: ONJPXWZQVLKGIU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(octadecyl)magnesium
• IUPAC Traditional name: chloro(octadecyl)magnesium
• Synonyms: Octadecylmagnesium chloride solution; 十八烷基氯化镁 溶液

Database IDs

• CAS Number: 116980-66-6
• MDL Number: MFCD00012233
• PubChem SID: 24864583; 162242007
• PubChem CID: 4192511

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.036
• LogD (pH = 7.4): 7.036
• Log P: 7.036
• Molar Refractivity: 90.1762 cm^3
• Polarizability: 37.72539 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 67 °C
• Flash Point: -20 °C; -4 °F
• Density: 0.906 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: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3(CH2)17MgCl

DETAILS

Sigma Aldrich - 394262

Packaging
100 mL in Sure/Seal™