chloro(tetradecyl)magnesium

• ChemBase ID: 140193
• Molecular Formular: C14H29ClMg
• Molecular Mass: 257.13806
• Monoisotopic Mass: 256.18082031
• SMILES: CCCCCCCCCCCCCC[Mg]Cl
• Canonical SMILES: CCCCCCCCCCCCCC[Mg]Cl
• InChI: InChI=1S/C14H29.ClH.Mg/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;/h1,3-14H2,2H3;1H;/q;;+1/p-1
• InChIKey: SKZDCNLZNNZOFG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(tetradecyl)magnesium
• IUPAC Traditional name: chloro(tetradecyl)magnesium
• Synonyms: Tetradecylmagnesium chloride solution; 十四烷基氯化镁 溶液

Database IDs

• CAS Number: 110220-87-6
• MDL Number: MFCD00075112
• PubChem SID: 24860499; 162234437
• PubChem CID: 5112800

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4508
• LogD (pH = 7.4): 5.4508
• Log P: 5.4508
• Molar Refractivity: 71.7722 cm^3
• Polarizability: 30.345892 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.923 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-H261-H314-H335
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P280-P422
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: CH3(CH2)13MgCl

DETAILS

Sigma Aldrich - 337781

Packaging
100, 800 mL in Sure/Seal™