dibutylmagnesium

• ChemBase ID: 143154
• Molecular Formular: C8H18Mg
• Molecular Mass: 138.53352
• Monoisotopic Mass: 138.12589228
• SMILES: CCCC[Mg]CCCC
• Canonical SMILES: CCCC[Mg]CCCC
• InChI: InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h2*1,3-4H2,2H3
• InChIKey: ODHFJIDDBSDWNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylmagnesium
• IUPAC Traditional name: dibutylmagnesium
• Synonyms: Di-n-butylmagnesium solution; 二-正丁基镁 溶液

Database IDs

• CAS Number: 1191-47-5
• MDL Number: MFCD00015225
• Beilstein Number: 3535184
• PubChem SID: 24861518; 162237376; 24861295
• PubChem CID: 70929

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2358
• LogD (pH = 7.4): 3.2358
• Log P: 3.2358
• Molar Refractivity: 38.9438 cm^3
• Polarizability: 17.567604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 21.2 °F; -22 °F; -30 °C; -40 °C; -40 °F; -6 °C
• Density: 0.713 g/mL at 25 °C; 0.736 g/mL at 25 °C; 0.749 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Nature polluting (N)
• UN Number: 3399
• German water hazard class: 1; 2
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-22-34-67; 11-14/15-34-50/53-65-67; 12-14/15-19-22-34-48/20-52/53-62-65-67
• Safety Statements: 16-26-36/37/39-43-45; 26-36/37/39-43-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H250-H260-H302-H304-H314-H336-H361-H373-H412; H225-H250-H260-H302-H314-H336; H225-H250-H260-H304-H314-H336-H410
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.; Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~0.75 M in diethyl ether; 1 M in ether and hexanes; 1.0 M in heptane
• Linear Formula: [CH3(CH2)3]2Mg

DETAILS

Sigma Aldrich - 731110

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 345113

General description
Contains up to 1 wt. % Triethylaluminum as a viscosity reducer
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 34765

Other Notes
Reagent for preparing other symmetrical magnesium compounds R2Mg1,2